Zlatović, Mario

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Authority KeyName Variants
orcid::0000-0003-4311-1731
  • Zlatović, Mario (68)
Projects
The synthesis of aminoquinoline-based antimalarials and botulinum neurotoxin A inhibitors Microbial diversity study and characterization of beneficial environmental microorganisms
Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids Reinforcement of the Faculty of Chemistry, University of Belgrade, towards becoming a Center of Excellence in the region of WB for Molecular Biotechnology and Food research
The study of physicochemical and biochemical processes in living environment that have impacts on pollution and the investigation of possibilities for minimizing the consequences European Society of Clinical Microbiology and Infectious Diseases (ESCMID)
Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology Serbian Academy of Sciences and Arts
Croatian Science Foundation under the project 4379 entitled Exploring the antioxidative potential of benzazole scaffold in the design of novel antitumor agents. Synthesis of new metal complexes and investigation of their reactions with peptides
Natural products of wild, cultivated and edible plants: structure and bioactivity determination Sinteza i karakterizacija biološki aktivnih supstanci i kompjuterska simulacija bioloških sistema
NATOs Public Diplomacy Division in the framework of Science for Peace project [SfP983638] Serbian Academy of Sciences and Arts [F128]
SupraMedChem'Balkans.Net SCOPES Institutional Partnership [IZ74Z0_160515] Bill & Melinda Gates Foundation [OPP1040394]
Deutscher Akademischer Austausch Dienst (DAAD) European Unions Horizon research and innovation program under the Marie Sklodowska-Curie Grant [642095]
Fundacao para a Ciencia e Tecnologia, Portugal [PTDC/SAUMIC/117060/2010] OPATHY - From Omics to Patient: Improving Diagnostics of Pathogenic Yeasts
Structure-properties relationships of natural and synthetic molecules and their metal complexes Synthesis, Quantitative Structure and Activity Relationship, Physico-Chemical Characterisation and Analysis of Pharmacologically Active Substances
Cell Cycle Aberrations and the Impact of Oxidative Stress in Neurodegenerative Processes and Malignant Transformation of the Cell Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200168 (University of Belgrade, Faculty of Chemistry)
Control of infections by Apicomplexan pathogens: from novel drug targets to prediction National Cancer Institute, National Institutes of Health (USA) [HHSN261200800001E]
NATOs Public Diplomacy Division [SfP983638] Serbian Academy of Sciences and Arts [F80]
Design, synthesis and investigations of fullerene based nanomolecular machines Structure-activity relationship of newly synthesized biological active compound

Author's Bibliography

Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives

Novaković, Miroslav M.; Simić, Stefan; Koračak, Ljiljana; Zlatović, Mario; Ilić-Tomič, Tatjana; Asakawa, Yoshinori; Nikodinović-Runić, Jasmina; Opsenica, Igor

(Elsevier, 2020)

TY  - JOUR
AU  - Novaković, Miroslav M.
AU  - Simić, Stefan
AU  - Koračak, Ljiljana
AU  - Zlatović, Mario
AU  - Ilić-Tomič, Tatjana
AU  - Asakawa, Yoshinori
AU  - Nikodinović-Runić, Jasmina
AU  - Opsenica, Igor
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3867
AB  - Chemical and biocatalytic synthesis of seven previously undescribed marchantin A ester derivatives has been presented. Chemical synthesis afforded three peresterified bisbibenzyl products (TE1-TE3), while enzymatic method, using lipase, produced regioselective monoester derivatives (ME1-ME4). The antiproliferative activities of all prepared derivatives of marchantin A were tested on MRC-5 healthy human lung fibroblast, A549 human lung cancer, and MDA-MB-231 human breast cancer cell lines. All tested esters were less cytotoxic in comparison to marchantin A, but they also exhibited lower cytotoxicity against healthy cells. Monoesters displayed higher cytotoxic activities than the corresponding peresterified products, presumably due to the presence of free catechol group. Monohexanoyl ester ME3 displayed the same IC50 like marchantin A against MDA-MB-231 cells, but the selectivity was higher. In this way, regioselective enzymatic monoesterification enhanced selectivity of marchantin A. ME3 was also the most active among all derivatives against lung cancer cells A549 with the slightly lower activity and selectivity in comparison to marchantin A.
PB  - Elsevier
T2  - Fitoterapia
T1  - Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives
VL  - 142
SP  - 104520
DO  - 10.1016/j.fitote.2020.104520
ER  - 
@article{
author = "Novaković, Miroslav M. and Simić, Stefan and Koračak, Ljiljana and Zlatović, Mario and Ilić-Tomič, Tatjana and Asakawa, Yoshinori and Nikodinović-Runić, Jasmina and Opsenica, Igor",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3867",
abstract = "Chemical and biocatalytic synthesis of seven previously undescribed marchantin A ester derivatives has been presented. Chemical synthesis afforded three peresterified bisbibenzyl products (TE1-TE3), while enzymatic method, using lipase, produced regioselective monoester derivatives (ME1-ME4). The antiproliferative activities of all prepared derivatives of marchantin A were tested on MRC-5 healthy human lung fibroblast, A549 human lung cancer, and MDA-MB-231 human breast cancer cell lines. All tested esters were less cytotoxic in comparison to marchantin A, but they also exhibited lower cytotoxicity against healthy cells. Monoesters displayed higher cytotoxic activities than the corresponding peresterified products, presumably due to the presence of free catechol group. Monohexanoyl ester ME3 displayed the same IC50 like marchantin A against MDA-MB-231 cells, but the selectivity was higher. In this way, regioselective enzymatic monoesterification enhanced selectivity of marchantin A. ME3 was also the most active among all derivatives against lung cancer cells A549 with the slightly lower activity and selectivity in comparison to marchantin A.",
publisher = "Elsevier",
journal = "Fitoterapia",
title = "Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives",
volume = "142",
pages = "104520",
doi = "10.1016/j.fitote.2020.104520"
}
Novaković, M. M., Simić, S., Koračak, L., Zlatović, M., Ilić-Tomič, T., Asakawa, Y., Nikodinović-Runić, J.,& Opsenica, I. (2020). Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives.
Fitoterapia
Elsevier., 142, 104520.
https://doi.org/10.1016/j.fitote.2020.104520
Novaković MM, Simić S, Koračak L, Zlatović M, Ilić-Tomič T, Asakawa Y, Nikodinović-Runić J, Opsenica I. Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives. Fitoterapia. 2020;142:104520
Novaković Miroslav M., Simić Stefan, Koračak Ljiljana, Zlatović Mario, Ilić-Tomič Tatjana, Asakawa Yoshinori, Nikodinović-Runić Jasmina, Opsenica Igor, "Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives" Fitoterapia, 142 (2020):104520,
https://doi.org/10.1016/j.fitote.2020.104520 .
1
1
1
1

Supplementary data for the article: Novakovic, M.; Simić, S.; Koračak, L.; Zlatović, M.; Ilic-Tomic, T.; Asakawa, Y.; Nikodinovic-Runic, J.; Opsenica, I. Chemo- and Biocatalytic Esterification of Marchantin A and Cytotoxic Activity of Ester Derivatives. Fitoterapia 2020, 142. https://doi.org/10.1016/j.fitote.2020.104520.oxic activity of ester derivatives http://cherry.chem.bg.ac.rs/handle/123456789/3867

Novaković, Miroslav M.; Simić, Stefan; Koračak, Ljiljana; Zlatović, Mario; Ilić-Tomič, Tatjana; Asakawa, Yoshinori; Nikodinović-Runić, Jasmina; Opsenica, Igor

(Elsevier, 2020)

TY  - BOOK
AU  - Novaković, Miroslav M.
AU  - Simić, Stefan
AU  - Koračak, Ljiljana
AU  - Zlatović, Mario
AU  - Ilić-Tomič, Tatjana
AU  - Asakawa, Yoshinori
AU  - Nikodinović-Runić, Jasmina
AU  - Opsenica, Igor
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3889
PB  - Elsevier
T2  - Fitoterapia
T1  - Supplementary data for the article: Novakovic, M.; Simić, S.; Koračak, L.; Zlatović, M.; Ilic-Tomic, T.; Asakawa, Y.; Nikodinovic-Runic, J.; Opsenica, I. Chemo- and Biocatalytic Esterification of Marchantin A and Cytotoxic Activity of Ester Derivatives. Fitoterapia 2020, 142. https://doi.org/10.1016/j.fitote.2020.104520.oxic activity of ester derivatives http://cherry.chem.bg.ac.rs/handle/123456789/3867
ER  - 
@book{
author = "Novaković, Miroslav M. and Simić, Stefan and Koračak, Ljiljana and Zlatović, Mario and Ilić-Tomič, Tatjana and Asakawa, Yoshinori and Nikodinović-Runić, Jasmina and Opsenica, Igor",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3889",
publisher = "Elsevier",
journal = "Fitoterapia",
title = "Supplementary data for the article: Novakovic, M.; Simić, S.; Koračak, L.; Zlatović, M.; Ilic-Tomic, T.; Asakawa, Y.; Nikodinovic-Runic, J.; Opsenica, I. Chemo- and Biocatalytic Esterification of Marchantin A and Cytotoxic Activity of Ester Derivatives. Fitoterapia 2020, 142. https://doi.org/10.1016/j.fitote.2020.104520.oxic activity of ester derivatives http://cherry.chem.bg.ac.rs/handle/123456789/3867"
}
Novaković, M. M., Simić, S., Koračak, L., Zlatović, M., Ilić-Tomič, T., Asakawa, Y., Nikodinović-Runić, J.,& Opsenica, I. (2020). Supplementary data for the article: Novakovic, M.; Simić, S.; Koračak, L.; Zlatović, M.; Ilic-Tomic, T.; Asakawa, Y.; Nikodinovic-Runic, J.; Opsenica, I. Chemo- and Biocatalytic Esterification of Marchantin A and Cytotoxic Activity of Ester Derivatives. Fitoterapia 2020, 142. https://doi.org/10.1016/j.fitote.2020.104520.oxic activity of ester derivatives http://cherry.chem.bg.ac.rs/handle/123456789/3867.
Fitoterapia
Elsevier..
Novaković MM, Simić S, Koračak L, Zlatović M, Ilić-Tomič T, Asakawa Y, Nikodinović-Runić J, Opsenica I. Supplementary data for the article: Novakovic, M.; Simić, S.; Koračak, L.; Zlatović, M.; Ilic-Tomic, T.; Asakawa, Y.; Nikodinovic-Runic, J.; Opsenica, I. Chemo- and Biocatalytic Esterification of Marchantin A and Cytotoxic Activity of Ester Derivatives. Fitoterapia 2020, 142. https://doi.org/10.1016/j.fitote.2020.104520.oxic activity of ester derivatives http://cherry.chem.bg.ac.rs/handle/123456789/3867. Fitoterapia. 2020;
Novaković Miroslav M., Simić Stefan, Koračak Ljiljana, Zlatović Mario, Ilić-Tomič Tatjana, Asakawa Yoshinori, Nikodinović-Runić Jasmina, Opsenica Igor, "Supplementary data for the article: Novakovic, M.; Simić, S.; Koračak, L.; Zlatović, M.; Ilic-Tomic, T.; Asakawa, Y.; Nikodinovic-Runic, J.; Opsenica, I. Chemo- and Biocatalytic Esterification of Marchantin A and Cytotoxic Activity of Ester Derivatives. Fitoterapia 2020, 142. https://doi.org/10.1016/j.fitote.2020.104520.oxic activity of ester derivatives http://cherry.chem.bg.ac.rs/handle/123456789/3867" Fitoterapia (2020)

Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives

Novaković, Miroslav M.; Simić, Stefan; Koračak, Ljiljana; Zlatović, Mario; Ilić-Tomič, Tatjana; Asakawa, Yoshinori; Nikodinović-Runić, Jasmina; Opsenica, Igor

(Elsevier, 2020)

TY  - JOUR
AU  - Novaković, Miroslav M.
AU  - Simić, Stefan
AU  - Koračak, Ljiljana
AU  - Zlatović, Mario
AU  - Ilić-Tomič, Tatjana
AU  - Asakawa, Yoshinori
AU  - Nikodinović-Runić, Jasmina
AU  - Opsenica, Igor
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3890
AB  - Chemical and biocatalytic synthesis of seven previously undescribed marchantin A ester derivatives has been presented. Chemical synthesis afforded three peresterified bisbibenzyl products (TE1-TE3), while enzymatic method, using lipase, produced regioselective monoester derivatives (ME1-ME4). The antiproliferative activities of all prepared derivatives of marchantin A were tested on MRC-5 healthy human lung fibroblast, A549 human lung cancer, and MDA-MB-231 human breast cancer cell lines. All tested esters were less cytotoxic in comparison to marchantin A, but they also exhibited lower cytotoxicity against healthy cells. Monoesters displayed higher cytotoxic activities than the corresponding peresterified products, presumably due to the presence of free catechol group. Monohexanoyl ester ME3 displayed the same IC50 like marchantin A against MDA-MB-231 cells, but the selectivity was higher. In this way, regioselective enzymatic monoesterification enhanced selectivity of marchantin A. ME3 was also the most active among all derivatives against lung cancer cells A549 with the slightly lower activity and selectivity in comparison to marchantin A.
PB  - Elsevier
T2  - Fitoterapia
T1  - Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives
VL  - 142
SP  - 104520
DO  - 10.1016/j.fitote.2020.104520
ER  - 
@article{
author = "Novaković, Miroslav M. and Simić, Stefan and Koračak, Ljiljana and Zlatović, Mario and Ilić-Tomič, Tatjana and Asakawa, Yoshinori and Nikodinović-Runić, Jasmina and Opsenica, Igor",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3890",
abstract = "Chemical and biocatalytic synthesis of seven previously undescribed marchantin A ester derivatives has been presented. Chemical synthesis afforded three peresterified bisbibenzyl products (TE1-TE3), while enzymatic method, using lipase, produced regioselective monoester derivatives (ME1-ME4). The antiproliferative activities of all prepared derivatives of marchantin A were tested on MRC-5 healthy human lung fibroblast, A549 human lung cancer, and MDA-MB-231 human breast cancer cell lines. All tested esters were less cytotoxic in comparison to marchantin A, but they also exhibited lower cytotoxicity against healthy cells. Monoesters displayed higher cytotoxic activities than the corresponding peresterified products, presumably due to the presence of free catechol group. Monohexanoyl ester ME3 displayed the same IC50 like marchantin A against MDA-MB-231 cells, but the selectivity was higher. In this way, regioselective enzymatic monoesterification enhanced selectivity of marchantin A. ME3 was also the most active among all derivatives against lung cancer cells A549 with the slightly lower activity and selectivity in comparison to marchantin A.",
publisher = "Elsevier",
journal = "Fitoterapia",
title = "Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives",
volume = "142",
pages = "104520",
doi = "10.1016/j.fitote.2020.104520"
}
Novaković, M. M., Simić, S., Koračak, L., Zlatović, M., Ilić-Tomič, T., Asakawa, Y., Nikodinović-Runić, J.,& Opsenica, I. (2020). Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives.
Fitoterapia
Elsevier., 142, 104520.
https://doi.org/10.1016/j.fitote.2020.104520
Novaković MM, Simić S, Koračak L, Zlatović M, Ilić-Tomič T, Asakawa Y, Nikodinović-Runić J, Opsenica I. Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives. Fitoterapia. 2020;142:104520
Novaković Miroslav M., Simić Stefan, Koračak Ljiljana, Zlatović Mario, Ilić-Tomič Tatjana, Asakawa Yoshinori, Nikodinović-Runić Jasmina, Opsenica Igor, "Chemo- and biocatalytic esterification of marchantin A and cytotoxic activity of ester derivatives" Fitoterapia, 142 (2020):104520,
https://doi.org/10.1016/j.fitote.2020.104520 .
1
1
1
1

Assessment of density functional approximations for calculation of exchange coupling constants in thiocyanato and cyanato double bridged binuclear Ni(II) complexes

Zlatar, Matija; Vlahović, Filip; Mitić, Dragana; Zlatović, Mario; Gruden, Maja

(Belgrade : Serbian Chemical Society, 2020)

TY  - JOUR
AU  - Zlatar, Matija
AU  - Vlahović, Filip
AU  - Mitić, Dragana
AU  - Zlatović, Mario
AU  - Gruden, Maja
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4304
AB  - In the present work, we examine the magnetic properties of 8 “end-to-end” thiocyanato, and 3 “end-to-end” cyanato double bridged Ni(II) binuc­lear complexes. Thiocyanato complexes are weakly ferromagnetic. Cyanato brid­ged complexes exhibit weak antiferromagnetic coupling. There­fore, it is a chal­lenge for computational chemistry to calculate the exchange coupling constant in these systems accurately. 17 different density functional approxim­ations with different flavours are used to find the method of choice to study magnetic properties in binuclear Ni(II) complexes within the broken-symmetry approach. It is found that M06-2X and PWPB95 performed the best compared to the experimental values for the entire set of examined complexes. Further­more, the magneto-structural correlation rationalizes the results.
AB  - Проучавана су магнетна својства 8 „end-to-end“ тиоцијанато, и 3 „end-to-end“ цијанато двоструко премошћених Ni(II) бинуклеарних комплекса. Tиоцијанато премошћени комплекси су слабо феромагнетни. Комплекси премошћени цијанато лигандима показују слабо антиферомагнетно купловање. Због тога је прецизно израчунавање константи купловања у овим системима изазов за рачунарску хемију. Константе купловања у овим системима су израчунате Broken-Symmetry приступом у оквиру теорије функционала густине. Седамнаест апроксимативних функционала густине су коришћени како би се пронашао најпоузданији ниво теорије за проучавање магнетних својстава бинуклеарних Ni(II) комплекса. Утврђено је да су M06-2X и PWPB95 показали најбоље слагање са експерименталним вредностима за цео скуп испитиваних комплекса. Напослетку, резултати су рационализовани магнетно-структурном kорелацијом.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Assessment of density functional approximations for calculation of exchange coupling constants in thiocyanato and cyanato double bridged binuclear Ni(II) complexes
T1  - Испитивање апроксимативних функционала густине за израчунавање константи купловања у двоструко премошћеним тиоцијанато и цијанато бинуклеарним Ni(II) kомплексима
VL  - 85
IS  - 12
SP  - 1577
EP  - 1590
DO  - 10.2298/JSC201106071Z
ER  - 
@article{
author = "Zlatar, Matija and Vlahović, Filip and Mitić, Dragana and Zlatović, Mario and Gruden, Maja",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/4304",
abstract = "In the present work, we examine the magnetic properties of 8 “end-to-end” thiocyanato, and 3 “end-to-end” cyanato double bridged Ni(II) binuc­lear complexes. Thiocyanato complexes are weakly ferromagnetic. Cyanato brid­ged complexes exhibit weak antiferromagnetic coupling. There­fore, it is a chal­lenge for computational chemistry to calculate the exchange coupling constant in these systems accurately. 17 different density functional approxim­ations with different flavours are used to find the method of choice to study magnetic properties in binuclear Ni(II) complexes within the broken-symmetry approach. It is found that M06-2X and PWPB95 performed the best compared to the experimental values for the entire set of examined complexes. Further­more, the magneto-structural correlation rationalizes the results., Проучавана су магнетна својства 8 „end-to-end“ тиоцијанато, и 3 „end-to-end“ цијанато двоструко премошћених Ni(II) бинуклеарних комплекса. Tиоцијанато премошћени комплекси су слабо феромагнетни. Комплекси премошћени цијанато лигандима показују слабо антиферомагнетно купловање. Због тога је прецизно израчунавање константи купловања у овим системима изазов за рачунарску хемију. Константе купловања у овим системима су израчунате Broken-Symmetry приступом у оквиру теорије функционала густине. Седамнаест апроксимативних функционала густине су коришћени како би се пронашао најпоузданији ниво теорије за проучавање магнетних својстава бинуклеарних Ni(II) комплекса. Утврђено је да су M06-2X и PWPB95 показали најбоље слагање са експерименталним вредностима за цео скуп испитиваних комплекса. Напослетку, резултати су рационализовани магнетно-структурном kорелацијом.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Assessment of density functional approximations for calculation of exchange coupling constants in thiocyanato and cyanato double bridged binuclear Ni(II) complexes, Испитивање апроксимативних функционала густине за израчунавање константи купловања у двоструко премошћеним тиоцијанато и цијанато бинуклеарним Ni(II) kомплексима",
volume = "85",
number = "12",
pages = "1577-1590",
doi = "10.2298/JSC201106071Z"
}
Zlatar, M., Vlahović, F., Mitić, D., Zlatović, M.,& Gruden, M. (2020). Испитивање апроксимативних функционала густине за израчунавање константи купловања у двоструко премошћеним тиоцијанато и цијанато бинуклеарним Ni(II) kомплексима.
Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 85(12), 1577-1590.
https://doi.org/10.2298/JSC201106071Z
Zlatar M, Vlahović F, Mitić D, Zlatović M, Gruden M. Испитивање апроксимативних функционала густине за израчунавање константи купловања у двоструко премошћеним тиоцијанато и цијанато бинуклеарним Ni(II) kомплексима. Journal of the Serbian Chemical Society. 2020;85(12):1577-1590
Zlatar Matija, Vlahović Filip, Mitić Dragana, Zlatović Mario, Gruden Maja, "Испитивање апроксимативних функционала густине за израчунавање константи купловања у двоструко премошћеним тиоцијанато и цијанато бинуклеарним Ni(II) kомплексима" Journal of the Serbian Chemical Society, 85, no. 12 (2020):1577-1590,
https://doi.org/10.2298/JSC201106071Z .

Cross-Reactive Effects of Vaccines: Heterologous Immunity between Tetanus and Chlamydia

Stojanović, Marijana; Lukić, Ivana; Marinković, Emilija; Kovačević, Ana; Miljković, Radmila; Tobias, Joshua; Schabussova, Irma; Zlatović, Mario; Barisani-Asenbauer, Talin; Wiedermann, Ursula; Inic-Kanada, Aleksandra

(2020)

TY  - JOUR
AU  - Stojanović, Marijana
AU  - Lukić, Ivana
AU  - Marinković, Emilija
AU  - Kovačević, Ana
AU  - Miljković, Radmila
AU  - Tobias, Joshua
AU  - Schabussova, Irma
AU  - Zlatović, Mario
AU  - Barisani-Asenbauer, Talin
AU  - Wiedermann, Ursula
AU  - Inic-Kanada, Aleksandra
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4292
AB  - Vaccines can have heterologous effects on the immune system, i.e., effects other than triggering an immune response against the disease targeted by the vaccine. We investigated whether monoclonal antibodies (mAbs) specific for tetanus could cross-react with Chlamydia and confer heterologous protection against chlamydial infection. The capability of two tetanus-specific mAbs, namely mAb26 and mAb51, to prevent chlamydial infection has been assessed: (i) in vitro, by performing a neutralization assay using human conjunctival epithelial (HCjE) cells infected with Chlamydia trachomatis serovar B, and (ii) in vivo, by using a guinea pig model of Chlamydiacaviae-induced inclusion conjunctivitis. The mAb26 has been superior in comparison with mAb51 in the prevention of chlamydial infection in HCjE cells. The mAb26 has conferred ≈40% inhibition of the infection, compared to less than 5% inhibition in the presence of the mAb51. In vivo, mAb26 significantly diminished ocular pathology intensity in guinea pigs infected with C. caviae compared to either the mAb51-treated or sham-treated guinea pigs. Our data provide insights that tetanus immunization generates antibodies which induce heterologous chlamydial immunity and promote protection beyond the intended target pathogen.
T2  - Vaccines
T1  - Cross-Reactive Effects of Vaccines: Heterologous Immunity between Tetanus and Chlamydia
VL  - 8
IS  - 4
SP  - 719
DO  - 10.3390/vaccines8040719
ER  - 
@article{
author = "Stojanović, Marijana and Lukić, Ivana and Marinković, Emilija and Kovačević, Ana and Miljković, Radmila and Tobias, Joshua and Schabussova, Irma and Zlatović, Mario and Barisani-Asenbauer, Talin and Wiedermann, Ursula and Inic-Kanada, Aleksandra",
year = "2020",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/4292",
abstract = "Vaccines can have heterologous effects on the immune system, i.e., effects other than triggering an immune response against the disease targeted by the vaccine. We investigated whether monoclonal antibodies (mAbs) specific for tetanus could cross-react with Chlamydia and confer heterologous protection against chlamydial infection. The capability of two tetanus-specific mAbs, namely mAb26 and mAb51, to prevent chlamydial infection has been assessed: (i) in vitro, by performing a neutralization assay using human conjunctival epithelial (HCjE) cells infected with Chlamydia trachomatis serovar B, and (ii) in vivo, by using a guinea pig model of Chlamydiacaviae-induced inclusion conjunctivitis. The mAb26 has been superior in comparison with mAb51 in the prevention of chlamydial infection in HCjE cells. The mAb26 has conferred ≈40% inhibition of the infection, compared to less than 5% inhibition in the presence of the mAb51. In vivo, mAb26 significantly diminished ocular pathology intensity in guinea pigs infected with C. caviae compared to either the mAb51-treated or sham-treated guinea pigs. Our data provide insights that tetanus immunization generates antibodies which induce heterologous chlamydial immunity and promote protection beyond the intended target pathogen.",
journal = "Vaccines",
title = "Cross-Reactive Effects of Vaccines: Heterologous Immunity between Tetanus and Chlamydia",
volume = "8",
number = "4",
pages = "719",
doi = "10.3390/vaccines8040719"
}
Stojanović, M., Lukić, I., Marinković, E., Kovačević, A., Miljković, R., Tobias, J., Schabussova, I., Zlatović, M., Barisani-Asenbauer, T., Wiedermann, U.,& Inic-Kanada, A. (2020). Cross-Reactive Effects of Vaccines: Heterologous Immunity between Tetanus and Chlamydia.
Vaccines, 8(4), 719.
https://doi.org/10.3390/vaccines8040719
Stojanović M, Lukić I, Marinković E, Kovačević A, Miljković R, Tobias J, Schabussova I, Zlatović M, Barisani-Asenbauer T, Wiedermann U, Inic-Kanada A. Cross-Reactive Effects of Vaccines: Heterologous Immunity between Tetanus and Chlamydia. Vaccines. 2020;8(4):719
Stojanović Marijana, Lukić Ivana, Marinković Emilija, Kovačević Ana, Miljković Radmila, Tobias Joshua, Schabussova Irma, Zlatović Mario, Barisani-Asenbauer Talin, Wiedermann Ursula, Inic-Kanada Aleksandra, "Cross-Reactive Effects of Vaccines: Heterologous Immunity between Tetanus and Chlamydia" Vaccines, 8, no. 4 (2020):719,
https://doi.org/10.3390/vaccines8040719 .
1
1
1

N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa

Aleksic, Ivana; Jeremic, Jelena; Milivojević, Dušan; Ilić-Tomić, Tatjana; Šegan, Sandra B.; Zlatović, Mario; Opsenica, Dejan M.; Senerovic, Lidija

(American Chemical Society, 2019)

TY  - JOUR
AU  - Aleksic, Ivana
AU  - Jeremic, Jelena
AU  - Milivojević, Dušan
AU  - Ilić-Tomić, Tatjana
AU  - Šegan, Sandra B.
AU  - Zlatović, Mario
AU  - Opsenica, Dejan M.
AU  - Senerovic, Lidija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3771
AB  - Pseudomonas aeruginosa is a leading cause of nosocomial infections that are becoming increasingly difficult to treat due to the occurrence of antibiotic resistant strains. Since P. aeruginosa virulence is controlled through quorum sensing, small molecule treatments inhibiting quorum sensing signaling pathways provide a promising therapeutic option. Consequently, we synthesized a series of N-octaneamino-4-aminoquinoline derivatives to optimize this chemotype’s antivirulence activity against P. aeruginosa via inhibition of pyocyanin production. The most potent derivative, which possesses a benzofuran substituent, provided effective inhibition of pyocyanin production (IC50 = 12 μM), biofilm formation (BFIC50 = 50 μM), and motility. Experimentally, the compound’s activity is achieved through competitive inhibition of PqsR, and structure–activity data were rationalized using molecular docking studies.
PB  - American Chemical Society
T2  - ACS Chemical Biology
T1  - N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa
DO  - 10.1021/acschembio.9b00682
ER  - 
@article{
author = "Aleksic, Ivana and Jeremic, Jelena and Milivojević, Dušan and Ilić-Tomić, Tatjana and Šegan, Sandra B. and Zlatović, Mario and Opsenica, Dejan M. and Senerovic, Lidija",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3771",
abstract = "Pseudomonas aeruginosa is a leading cause of nosocomial infections that are becoming increasingly difficult to treat due to the occurrence of antibiotic resistant strains. Since P. aeruginosa virulence is controlled through quorum sensing, small molecule treatments inhibiting quorum sensing signaling pathways provide a promising therapeutic option. Consequently, we synthesized a series of N-octaneamino-4-aminoquinoline derivatives to optimize this chemotype’s antivirulence activity against P. aeruginosa via inhibition of pyocyanin production. The most potent derivative, which possesses a benzofuran substituent, provided effective inhibition of pyocyanin production (IC50 = 12 μM), biofilm formation (BFIC50 = 50 μM), and motility. Experimentally, the compound’s activity is achieved through competitive inhibition of PqsR, and structure–activity data were rationalized using molecular docking studies.",
publisher = "American Chemical Society",
journal = "ACS Chemical Biology",
title = "N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa",
doi = "10.1021/acschembio.9b00682"
}
Aleksic, I., Jeremic, J., Milivojević, D., Ilić-Tomić, T., Šegan, S. B., Zlatović, M., Opsenica, D. M.,& Senerovic, L. (2019). N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa.
ACS Chemical Biology
American Chemical Society..
https://doi.org/10.1021/acschembio.9b00682
Aleksic I, Jeremic J, Milivojević D, Ilić-Tomić T, Šegan SB, Zlatović M, Opsenica DM, Senerovic L. N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa. ACS Chemical Biology. 2019;
Aleksic Ivana, Jeremic Jelena, Milivojević Dušan, Ilić-Tomić Tatjana, Šegan Sandra B., Zlatović Mario, Opsenica Dejan M., Senerovic Lidija, "N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa" ACS Chemical Biology (2019),
https://doi.org/10.1021/acschembio.9b00682 .
1
5
2
3

N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa

Aleksic, Ivana; Jeremic, Jelena; Milivojević, Dušan; Ilić-Tomić, Tatjana; Šegan, Sandra B.; Zlatović, Mario; Opsenica, Dejan M.; Senerovic, Lidija

(American Chemical Society, 2019)

TY  - JOUR
AU  - Aleksic, Ivana
AU  - Jeremic, Jelena
AU  - Milivojević, Dušan
AU  - Ilić-Tomić, Tatjana
AU  - Šegan, Sandra B.
AU  - Zlatović, Mario
AU  - Opsenica, Dejan M.
AU  - Senerovic, Lidija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3772
AB  - Pseudomonas aeruginosa is a leading cause of nosocomial infections that are becoming increasingly difficult to treat due to the occurrence of antibiotic resistant strains. Since P. aeruginosa virulence is controlled through quorum sensing, small molecule treatments inhibiting quorum sensing signaling pathways provide a promising therapeutic option. Consequently, we synthesized a series of N-octaneamino-4-aminoquinoline derivatives to optimize this chemotype’s antivirulence activity against P. aeruginosa via inhibition of pyocyanin production. The most potent derivative, which possesses a benzofuran substituent, provided effective inhibition of pyocyanin production (IC50 = 12 μM), biofilm formation (BFIC50 = 50 μM), and motility. Experimentally, the compound’s activity is achieved through competitive inhibition of PqsR, and structure–activity data were rationalized using molecular docking studies.
PB  - American Chemical Society
T2  - ACS Chemical Biology
T1  - N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa
DO  - 10.1021/acschembio.9b00682
ER  - 
@article{
author = "Aleksic, Ivana and Jeremic, Jelena and Milivojević, Dušan and Ilić-Tomić, Tatjana and Šegan, Sandra B. and Zlatović, Mario and Opsenica, Dejan M. and Senerovic, Lidija",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3772",
abstract = "Pseudomonas aeruginosa is a leading cause of nosocomial infections that are becoming increasingly difficult to treat due to the occurrence of antibiotic resistant strains. Since P. aeruginosa virulence is controlled through quorum sensing, small molecule treatments inhibiting quorum sensing signaling pathways provide a promising therapeutic option. Consequently, we synthesized a series of N-octaneamino-4-aminoquinoline derivatives to optimize this chemotype’s antivirulence activity against P. aeruginosa via inhibition of pyocyanin production. The most potent derivative, which possesses a benzofuran substituent, provided effective inhibition of pyocyanin production (IC50 = 12 μM), biofilm formation (BFIC50 = 50 μM), and motility. Experimentally, the compound’s activity is achieved through competitive inhibition of PqsR, and structure–activity data were rationalized using molecular docking studies.",
publisher = "American Chemical Society",
journal = "ACS Chemical Biology",
title = "N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa",
doi = "10.1021/acschembio.9b00682"
}
Aleksic, I., Jeremic, J., Milivojević, D., Ilić-Tomić, T., Šegan, S. B., Zlatović, M., Opsenica, D. M.,& Senerovic, L. (2019). N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa.
ACS Chemical Biology
American Chemical Society..
https://doi.org/10.1021/acschembio.9b00682
Aleksic I, Jeremic J, Milivojević D, Ilić-Tomić T, Šegan SB, Zlatović M, Opsenica DM, Senerovic L. N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa. ACS Chemical Biology. 2019;
Aleksic Ivana, Jeremic Jelena, Milivojević Dušan, Ilić-Tomić Tatjana, Šegan Sandra B., Zlatović Mario, Opsenica Dejan M., Senerovic Lidija, "N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa" ACS Chemical Biology (2019),
https://doi.org/10.1021/acschembio.9b00682 .
1
5
2
3

Supplementary data for article: N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa

Aleksic, Ivana; Jeremic, Jelena; Milivojević, Dušan; Ilić-Tomić, Tatjana; Šegan, Sandra B.; Zlatović, Mario; Opsenica, Dejan M.; Senerovic, Lidija

(American Chemical Society, 2019)

TY  - BOOK
AU  - Aleksic, Ivana
AU  - Jeremic, Jelena
AU  - Milivojević, Dušan
AU  - Ilić-Tomić, Tatjana
AU  - Šegan, Sandra B.
AU  - Zlatović, Mario
AU  - Opsenica, Dejan M.
AU  - Senerovic, Lidija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3773
PB  - American Chemical Society
T2  - ACS Chemical Biology
T1  - Supplementary data for article: N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa
ER  - 
@book{
author = "Aleksic, Ivana and Jeremic, Jelena and Milivojević, Dušan and Ilić-Tomić, Tatjana and Šegan, Sandra B. and Zlatović, Mario and Opsenica, Dejan M. and Senerovic, Lidija",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3773",
publisher = "American Chemical Society",
journal = "ACS Chemical Biology",
title = "Supplementary data for article: N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa"
}
Aleksic, I., Jeremic, J., Milivojević, D., Ilić-Tomić, T., Šegan, S. B., Zlatović, M., Opsenica, D. M.,& Senerovic, L. (2019). Supplementary data for article: N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa.
ACS Chemical Biology
American Chemical Society..
Aleksic I, Jeremic J, Milivojević D, Ilić-Tomić T, Šegan SB, Zlatović M, Opsenica DM, Senerovic L. Supplementary data for article: N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa. ACS Chemical Biology. 2019;
Aleksic Ivana, Jeremic Jelena, Milivojević Dušan, Ilić-Tomić Tatjana, Šegan Sandra B., Zlatović Mario, Opsenica Dejan M., Senerovic Lidija, "Supplementary data for article: N-benzyl derivatives of long-chained 4-Amino-7-chloro-quionolines as inhibitors of pyocyanin production in Pseudomonas aeruginosa" ACS Chemical Biology (2019)

Computational Analysis of Non-covalent Interactions in Phycocyanin Subunit Interfaces

Breberina, Luka M.; Zlatović, Mario; Nikolić, Milan; Stojanović, Srđan Đ.

(Willey, 2019)

TY  - JOUR
AU  - Breberina, Luka M.
AU  - Zlatović, Mario
AU  - Nikolić, Milan
AU  - Stojanović, Srđan Đ.
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3790
AB  - Protein-protein interactions are an important phenomenon in biological processes and functions. We used the manually curated non-redundant dataset of 118 phycocyanin interfaces to gain additional insight into this phenomenon using a robust inter-atomic non-covalent interaction analyzing tool PPCheck. Our observations indicate that there is a relatively high composition of hydrophobic residues at the interfaces. Most of the interface residues are clustered at the middle of the range which we call “standard-size” interfaces. Furthermore, the multiple interaction patterns founded in the present study indicate that more than half of the residues involved in these interactions participate in multiple and water-bridged hydrogen bonds. Thus, hydrogen bonds contribute maximally towards the stability of protein-protein complexes. The analysis shows that hydrogen bond energies contribute to about 88 % to the total energy and it also increases with interface size. Van der Waals (vdW) energy contributes to 9.3 %±1.7 % on average in these complexes. Moreover, there is about 1.9 %±1.5 % contribution by electrostatic energy. Nevertheless, the role by vdW and electrostatic energy could not be ignored in interface binding. Results show that the total binding energy is more for large phycocyanin interfaces. The normalized energy per residue was less than −16 kJ mol−1, while most of them have energy in the range from −6 to −14 kJ mol−1. The non-covalent interacting residues in these proteins were found to be highly conserved. Obtained results might contribute to the understanding of structural stability of this class of evolutionary essential proteins with increased practical application and future designs of novel protein-bioactive compound interactions.
PB  - Willey
T2  - Molecular Informatics
T1  - Computational Analysis of Non-covalent Interactions in Phycocyanin Subunit Interfaces
VL  - 38
IS  - 11-12
SP  - 1800145
DO  - 10.1002/minf.201800145
ER  - 
@article{
author = "Breberina, Luka M. and Zlatović, Mario and Nikolić, Milan and Stojanović, Srđan Đ.",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3790",
abstract = "Protein-protein interactions are an important phenomenon in biological processes and functions. We used the manually curated non-redundant dataset of 118 phycocyanin interfaces to gain additional insight into this phenomenon using a robust inter-atomic non-covalent interaction analyzing tool PPCheck. Our observations indicate that there is a relatively high composition of hydrophobic residues at the interfaces. Most of the interface residues are clustered at the middle of the range which we call “standard-size” interfaces. Furthermore, the multiple interaction patterns founded in the present study indicate that more than half of the residues involved in these interactions participate in multiple and water-bridged hydrogen bonds. Thus, hydrogen bonds contribute maximally towards the stability of protein-protein complexes. The analysis shows that hydrogen bond energies contribute to about 88 % to the total energy and it also increases with interface size. Van der Waals (vdW) energy contributes to 9.3 %±1.7 % on average in these complexes. Moreover, there is about 1.9 %±1.5 % contribution by electrostatic energy. Nevertheless, the role by vdW and electrostatic energy could not be ignored in interface binding. Results show that the total binding energy is more for large phycocyanin interfaces. The normalized energy per residue was less than −16 kJ mol−1, while most of them have energy in the range from −6 to −14 kJ mol−1. The non-covalent interacting residues in these proteins were found to be highly conserved. Obtained results might contribute to the understanding of structural stability of this class of evolutionary essential proteins with increased practical application and future designs of novel protein-bioactive compound interactions.",
publisher = "Willey",
journal = "Molecular Informatics",
title = "Computational Analysis of Non-covalent Interactions in Phycocyanin Subunit Interfaces",
volume = "38",
number = "11-12",
pages = "1800145",
doi = "10.1002/minf.201800145"
}
Breberina, L. M., Zlatović, M., Nikolić, M.,& Stojanović, S. Đ. (2019). Computational Analysis of Non-covalent Interactions in Phycocyanin Subunit Interfaces.
Molecular Informatics
Willey., 38(11-12), 1800145.
https://doi.org/10.1002/minf.201800145
Breberina LM, Zlatović M, Nikolić M, Stojanović SĐ. Computational Analysis of Non-covalent Interactions in Phycocyanin Subunit Interfaces. Molecular Informatics. 2019;38(11-12):1800145
Breberina Luka M., Zlatović Mario, Nikolić Milan, Stojanović Srđan Đ., "Computational Analysis of Non-covalent Interactions in Phycocyanin Subunit Interfaces" Molecular Informatics, 38, no. 11-12 (2019):1800145,
https://doi.org/10.1002/minf.201800145 .

Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.

Sović, Irena; Cindrić, Maja; Perin, Nataša; Boček, Ida; Novaković, Irena T.; Damjanović, Ana; Stanojković, Tatjana; Zlatović, Mario; Hranjec, Marijana; Bertoša, Branimir

(American Chemical Society, 2019)

TY  - JOUR
AU  - Sović, Irena
AU  - Cindrić, Maja
AU  - Perin, Nataša
AU  - Boček, Ida
AU  - Novaković, Irena T.
AU  - Damjanović, Ana
AU  - Stanojković, Tatjana
AU  - Zlatović, Mario
AU  - Hranjec, Marijana
AU  - Bertoša, Branimir
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3851
AB  - This paper discusses antioxidative and biological activities of 25 novel amidino substituted benzamides with a variety of heteroaromatic nuclei attached to the benzamide moiety and with a variable number of methoxy or hydroxy substituents. Targeted compounds, bearing either amidino or 2-imidazolinyl substituent, were obtained in the Pinner reaction from cyano precursors. 3D-QSAR models were generated to predict antioxidative activity of the 25 novel aromatic and heteroaromatic benzamide derivatives. The compounds were tested for antioxidative activity using in vitro spectrophotometric assays. Direct validation of 3D-QSAR approach for predicting activities of novel benzamide derivatives was carried out by comparing experimental and computationally predicted antioxidative activity. Experimentally determined activities for all novel compounds were found to be within a standard deviation of error of the models. Following this, structure–activity relationships among the synthesized compounds are discussed. Furthermore, antiproliferative activity in vitro against HeLa cells as well as antibacterial and antifungal activity was tested to confirm the other biological activities of the prepared compounds.
PB  - American Chemical Society
T2  - Chemical Research in Toxicology
T1  - Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.
VL  - 32
IS  - 9
SP  - 1880
DO  - 10.1021/acs.chemrestox.9b00256
ER  - 
@article{
author = "Sović, Irena and Cindrić, Maja and Perin, Nataša and Boček, Ida and Novaković, Irena T. and Damjanović, Ana and Stanojković, Tatjana and Zlatović, Mario and Hranjec, Marijana and Bertoša, Branimir",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3851",
abstract = "This paper discusses antioxidative and biological activities of 25 novel amidino substituted benzamides with a variety of heteroaromatic nuclei attached to the benzamide moiety and with a variable number of methoxy or hydroxy substituents. Targeted compounds, bearing either amidino or 2-imidazolinyl substituent, were obtained in the Pinner reaction from cyano precursors. 3D-QSAR models were generated to predict antioxidative activity of the 25 novel aromatic and heteroaromatic benzamide derivatives. The compounds were tested for antioxidative activity using in vitro spectrophotometric assays. Direct validation of 3D-QSAR approach for predicting activities of novel benzamide derivatives was carried out by comparing experimental and computationally predicted antioxidative activity. Experimentally determined activities for all novel compounds were found to be within a standard deviation of error of the models. Following this, structure–activity relationships among the synthesized compounds are discussed. Furthermore, antiproliferative activity in vitro against HeLa cells as well as antibacterial and antifungal activity was tested to confirm the other biological activities of the prepared compounds.",
publisher = "American Chemical Society",
journal = "Chemical Research in Toxicology",
title = "Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.",
volume = "32",
number = "9",
pages = "1880",
doi = "10.1021/acs.chemrestox.9b00256"
}
Sović, I., Cindrić, M., Perin, N., Boček, I., Novaković, I. T., Damjanović, A., Stanojković, T., Zlatović, M., Hranjec, M.,& Bertoša, B. (2019). Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity..
Chemical Research in Toxicology
American Chemical Society., 32(9), 1880.
https://doi.org/10.1021/acs.chemrestox.9b00256
Sović I, Cindrić M, Perin N, Boček I, Novaković IT, Damjanović A, Stanojković T, Zlatović M, Hranjec M, Bertoša B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.. Chemical Research in Toxicology. 2019;32(9):1880
Sović Irena, Cindrić Maja, Perin Nataša, Boček Ida, Novaković Irena T., Damjanović Ana, Stanojković Tatjana, Zlatović Mario, Hranjec Marijana, Bertoša Branimir, "Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity." Chemical Research in Toxicology, 32, no. 9 (2019):1880,
https://doi.org/10.1021/acs.chemrestox.9b00256 .
4
4
4

Supplementary data for the article: Sović, I.; Cindrić, M.; Perin, N.; Boček, I.; Novaković, I.; Damjanović, A.; Stanojković, T.; Zlatović, M.; Hranjec, M.; Bertoša, B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity. Chemical Research in Toxicology 2019, 32 (9), 1880–1892. https://doi.org/10.1021/acs.chemrestox.9b00256

Sović, Irena; Cindrić, Maja; Perin, Nataša; Boček, Ida; Novaković, Irena T.; Damjanović, Ana; Stanojković, Tatjana; Zlatović, Mario; Hranjec, Marijana; Bertoša, Branimir

(American Chemical Society, 2019)

TY  - BOOK
AU  - Sović, Irena
AU  - Cindrić, Maja
AU  - Perin, Nataša
AU  - Boček, Ida
AU  - Novaković, Irena T.
AU  - Damjanović, Ana
AU  - Stanojković, Tatjana
AU  - Zlatović, Mario
AU  - Hranjec, Marijana
AU  - Bertoša, Branimir
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3852
PB  - American Chemical Society
T2  - Chemical Research in Toxicology
T1  - Supplementary data for the article: Sović, I.; Cindrić, M.; Perin, N.; Boček, I.; Novaković, I.; Damjanović, A.; Stanojković, T.; Zlatović, M.; Hranjec, M.; Bertoša, B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity. Chemical Research in Toxicology 2019, 32 (9), 1880–1892. https://doi.org/10.1021/acs.chemrestox.9b00256
ER  - 
@book{
author = "Sović, Irena and Cindrić, Maja and Perin, Nataša and Boček, Ida and Novaković, Irena T. and Damjanović, Ana and Stanojković, Tatjana and Zlatović, Mario and Hranjec, Marijana and Bertoša, Branimir",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3852",
publisher = "American Chemical Society",
journal = "Chemical Research in Toxicology",
title = "Supplementary data for the article: Sović, I.; Cindrić, M.; Perin, N.; Boček, I.; Novaković, I.; Damjanović, A.; Stanojković, T.; Zlatović, M.; Hranjec, M.; Bertoša, B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity. Chemical Research in Toxicology 2019, 32 (9), 1880–1892. https://doi.org/10.1021/acs.chemrestox.9b00256"
}
Sović, I., Cindrić, M., Perin, N., Boček, I., Novaković, I. T., Damjanović, A., Stanojković, T., Zlatović, M., Hranjec, M.,& Bertoša, B. (2019). Supplementary data for the article: Sović, I.; Cindrić, M.; Perin, N.; Boček, I.; Novaković, I.; Damjanović, A.; Stanojković, T.; Zlatović, M.; Hranjec, M.; Bertoša, B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity. Chemical Research in Toxicology 2019, 32 (9), 1880–1892. https://doi.org/10.1021/acs.chemrestox.9b00256.
Chemical Research in Toxicology
American Chemical Society..
Sović I, Cindrić M, Perin N, Boček I, Novaković IT, Damjanović A, Stanojković T, Zlatović M, Hranjec M, Bertoša B. Supplementary data for the article: Sović, I.; Cindrić, M.; Perin, N.; Boček, I.; Novaković, I.; Damjanović, A.; Stanojković, T.; Zlatović, M.; Hranjec, M.; Bertoša, B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity. Chemical Research in Toxicology 2019, 32 (9), 1880–1892. https://doi.org/10.1021/acs.chemrestox.9b00256. Chemical Research in Toxicology. 2019;
Sović Irena, Cindrić Maja, Perin Nataša, Boček Ida, Novaković Irena T., Damjanović Ana, Stanojković Tatjana, Zlatović Mario, Hranjec Marijana, Bertoša Branimir, "Supplementary data for the article: Sović, I.; Cindrić, M.; Perin, N.; Boček, I.; Novaković, I.; Damjanović, A.; Stanojković, T.; Zlatović, M.; Hranjec, M.; Bertoša, B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity. Chemical Research in Toxicology 2019, 32 (9), 1880–1892. https://doi.org/10.1021/acs.chemrestox.9b00256" Chemical Research in Toxicology (2019)

Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.

Sović, Irena; Cindrić, Maja; Perin, Nataša; Boček, Ida; Novaković, Irena T.; Damjanović, Ana; Stanojković, Tatjana; Zlatović, Mario; Hranjec, Marijana; Bertoša, Branimir

(American Chemical Society, 2019)

TY  - JOUR
AU  - Sović, Irena
AU  - Cindrić, Maja
AU  - Perin, Nataša
AU  - Boček, Ida
AU  - Novaković, Irena T.
AU  - Damjanović, Ana
AU  - Stanojković, Tatjana
AU  - Zlatović, Mario
AU  - Hranjec, Marijana
AU  - Bertoša, Branimir
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3914
AB  - This paper discusses antioxidative and biological activities of 25 novel amidino substituted benzamides with a variety of heteroaromatic nuclei attached to the benzamide moiety and with a variable number of methoxy or hydroxy substituents. Targeted compounds, bearing either amidino or 2-imidazolinyl substituent, were obtained in the Pinner reaction from cyano precursors. 3D-QSAR models were generated to predict antioxidative activity of the 25 novel aromatic and heteroaromatic benzamide derivatives. The compounds were tested for antioxidative activity using in vitro spectrophotometric assays. Direct validation of 3D-QSAR approach for predicting activities of novel benzamide derivatives was carried out by comparing experimental and computationally predicted antioxidative activity. Experimentally determined activities for all novel compounds were found to be within a standard deviation of error of the models. Following this, structure–activity relationships among the synthesized compounds are discussed. Furthermore, antiproliferative activity in vitro against HeLa cells as well as antibacterial and antifungal activity was tested to confirm the other biological activities of the prepared compounds.
PB  - American Chemical Society
T2  - Chemical Research in Toxicology
T1  - Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.
VL  - 32
IS  - 9
SP  - 1880
DO  - 10.1021/acs.chemrestox.9b00256
ER  - 
@article{
author = "Sović, Irena and Cindrić, Maja and Perin, Nataša and Boček, Ida and Novaković, Irena T. and Damjanović, Ana and Stanojković, Tatjana and Zlatović, Mario and Hranjec, Marijana and Bertoša, Branimir",
year = "2019",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3914",
abstract = "This paper discusses antioxidative and biological activities of 25 novel amidino substituted benzamides with a variety of heteroaromatic nuclei attached to the benzamide moiety and with a variable number of methoxy or hydroxy substituents. Targeted compounds, bearing either amidino or 2-imidazolinyl substituent, were obtained in the Pinner reaction from cyano precursors. 3D-QSAR models were generated to predict antioxidative activity of the 25 novel aromatic and heteroaromatic benzamide derivatives. The compounds were tested for antioxidative activity using in vitro spectrophotometric assays. Direct validation of 3D-QSAR approach for predicting activities of novel benzamide derivatives was carried out by comparing experimental and computationally predicted antioxidative activity. Experimentally determined activities for all novel compounds were found to be within a standard deviation of error of the models. Following this, structure–activity relationships among the synthesized compounds are discussed. Furthermore, antiproliferative activity in vitro against HeLa cells as well as antibacterial and antifungal activity was tested to confirm the other biological activities of the prepared compounds.",
publisher = "American Chemical Society",
journal = "Chemical Research in Toxicology",
title = "Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.",
volume = "32",
number = "9",
pages = "1880",
doi = "10.1021/acs.chemrestox.9b00256"
}
Sović, I., Cindrić, M., Perin, N., Boček, I., Novaković, I. T., Damjanović, A., Stanojković, T., Zlatović, M., Hranjec, M.,& Bertoša, B. (2019). Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity..
Chemical Research in Toxicology
American Chemical Society., 32(9), 1880.
https://doi.org/10.1021/acs.chemrestox.9b00256
Sović I, Cindrić M, Perin N, Boček I, Novaković IT, Damjanović A, Stanojković T, Zlatović M, Hranjec M, Bertoša B. Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity.. Chemical Research in Toxicology. 2019;32(9):1880
Sović Irena, Cindrić Maja, Perin Nataša, Boček Ida, Novaković Irena T., Damjanović Ana, Stanojković Tatjana, Zlatović Mario, Hranjec Marijana, Bertoša Branimir, "Biological Potential of Novel Methoxy and Hydroxy Substituted Heteroaromatic Amides Designed as Promising Antioxidative Agents: Synthesis, 3D-QSAR Analysis, and Biological Activity." Chemical Research in Toxicology, 32, no. 9 (2019):1880,
https://doi.org/10.1021/acs.chemrestox.9b00256 .
4
4
4

Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles

Andrejević, Tina P.; Nikolić, Andrea; Glišić, Biljana Đ.; Wadepohl, Hubert; Vojnović, Sandra; Zlatović, Mario; Petković, Miloš; Nikodinović-Runić, Jasmina; Opsenica, Igor; Đuran, Miloš I.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - JOUR
AU  - Andrejević, Tina P.
AU  - Nikolić, Andrea
AU  - Glišić, Biljana Đ.
AU  - Wadepohl, Hubert
AU  - Vojnović, Sandra
AU  - Zlatović, Mario
AU  - Petković, Miloš
AU  - Nikodinović-Runić, Jasmina
AU  - Opsenica, Igor
AU  - Đuran, Miloš I.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2991
AB  - Herein, we report the synthesis and structural characteristics of three tetrazole-containing compounds, 1-benzyl-1H-tetrazole (bntz), 1-benzyl-1H-tetrazol-5-amine (bntza) and 1-(4-methoxybenzyl)-1H-tetrazol-5-amine (mbntza) and the corresponding silver(I) complexes of the general formula [Ag(NO3-O)(L-N4)(2)](n), L = bntz (1), bntza (2) and mbntza (3). Silver(I) complexes 1-3 and 1-benzyl-1H-tetrazoles have been studied in detail by NMR, IR and UV-Vis spectroscopic methods and the structures of 1 and 2 have been determined by single-crystal X-ray diffraction analysis. The results of these analyses revealed a monodentate coordination of the ligands to Ag(I) ion via the N4 tetrazole nitrogen. The antimicrobial potential of silver(I) complexes 1-3 was evaluated against the broad panel of Gram-positive and Gram-negative bacteria and fungi, displaying their remarkable inhibiting activity with MIC (minimal inhibitory concentration) values in the range 2-8 and 0.16-1.25 mu g/mL (3.8-16.3 and 0.31-2.15 mu M), respectively. On the other hand, 1-benzyl-1H-tetrazoles used for the synthesis of the silver(I) complexes were not active against the investigated strains, suggesting that the activity of the complexes originates from the Ag(I) ion exclusively. Moreover, silver(I) complexes 1-3 have good therapeutic potential, which can be deduced from their moderate cytotoxicity on the human fibroblast cell line MRC5, with IC50 values falling in the range 30-60 mu g/mL (57.7-103.4 mu M). (C) 2018 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles
VL  - 154
SP  - 325
EP  - 333
DO  - 10.1016/j.poly.2018.08.001
ER  - 
@article{
author = "Andrejević, Tina P. and Nikolić, Andrea and Glišić, Biljana Đ. and Wadepohl, Hubert and Vojnović, Sandra and Zlatović, Mario and Petković, Miloš and Nikodinović-Runić, Jasmina and Opsenica, Igor and Đuran, Miloš I.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2991",
abstract = "Herein, we report the synthesis and structural characteristics of three tetrazole-containing compounds, 1-benzyl-1H-tetrazole (bntz), 1-benzyl-1H-tetrazol-5-amine (bntza) and 1-(4-methoxybenzyl)-1H-tetrazol-5-amine (mbntza) and the corresponding silver(I) complexes of the general formula [Ag(NO3-O)(L-N4)(2)](n), L = bntz (1), bntza (2) and mbntza (3). Silver(I) complexes 1-3 and 1-benzyl-1H-tetrazoles have been studied in detail by NMR, IR and UV-Vis spectroscopic methods and the structures of 1 and 2 have been determined by single-crystal X-ray diffraction analysis. The results of these analyses revealed a monodentate coordination of the ligands to Ag(I) ion via the N4 tetrazole nitrogen. The antimicrobial potential of silver(I) complexes 1-3 was evaluated against the broad panel of Gram-positive and Gram-negative bacteria and fungi, displaying their remarkable inhibiting activity with MIC (minimal inhibitory concentration) values in the range 2-8 and 0.16-1.25 mu g/mL (3.8-16.3 and 0.31-2.15 mu M), respectively. On the other hand, 1-benzyl-1H-tetrazoles used for the synthesis of the silver(I) complexes were not active against the investigated strains, suggesting that the activity of the complexes originates from the Ag(I) ion exclusively. Moreover, silver(I) complexes 1-3 have good therapeutic potential, which can be deduced from their moderate cytotoxicity on the human fibroblast cell line MRC5, with IC50 values falling in the range 30-60 mu g/mL (57.7-103.4 mu M). (C) 2018 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles",
volume = "154",
pages = "325-333",
doi = "10.1016/j.poly.2018.08.001"
}
Andrejević, T. P., Nikolić, A., Glišić, B. Đ., Wadepohl, H., Vojnović, S., Zlatović, M., Petković, M., Nikodinović-Runić, J., Opsenica, I.,& Đuran, M. I. (2018). Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles.
Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 154, 325-333.
https://doi.org/10.1016/j.poly.2018.08.001
Andrejević TP, Nikolić A, Glišić BĐ, Wadepohl H, Vojnović S, Zlatović M, Petković M, Nikodinović-Runić J, Opsenica I, Đuran MI. Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles. Polyhedron. 2018;154:325-333
Andrejević Tina P., Nikolić Andrea, Glišić Biljana Đ., Wadepohl Hubert, Vojnović Sandra, Zlatović Mario, Petković Miloš, Nikodinović-Runić Jasmina, Opsenica Igor, Đuran Miloš I., "Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles" Polyhedron, 154 (2018):325-333,
https://doi.org/10.1016/j.poly.2018.08.001 .
1
11
11
12

Supplementary data for the article: Andrejević, T. P.; Nikolić, A. M.; Glišić, B. Đ.; Wadepohl, H.; Vojnovic, S.; Zlatović, M.; Petković, M.; Nikodinovic-Runic, J.; Opsenica, I. M.; Djuran, M. I. Synthesis, Structural Characterization and Antimicrobial Activity of Silver(I) Complexes with 1-Benzyl-1H-Tetrazoles. Polyhedron 2018, 154, 325–333. https://doi.org/10.1016/j.poly.2018.08.001

Andrejević, Tina P.; Nikolić, Andrea; Glišić, Biljana Đ.; Wadepohl, Hubert; Vojnović, Sandra; Zlatović, Mario; Petković, Miloš; Nikodinović-Runić, Jasmina; Opsenica, Igor; Đuran, Miloš I.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - BOOK
AU  - Andrejević, Tina P.
AU  - Nikolić, Andrea
AU  - Glišić, Biljana Đ.
AU  - Wadepohl, Hubert
AU  - Vojnović, Sandra
AU  - Zlatović, Mario
AU  - Petković, Miloš
AU  - Nikodinović-Runić, Jasmina
AU  - Opsenica, Igor
AU  - Đuran, Miloš I.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2992
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Supplementary data for the article: Andrejević, T. P.; Nikolić, A. M.; Glišić, B. Đ.; Wadepohl, H.; Vojnovic, S.; Zlatović, M.; Petković, M.; Nikodinovic-Runic, J.; Opsenica, I. M.; Djuran, M. I. Synthesis, Structural Characterization and Antimicrobial Activity of Silver(I) Complexes with 1-Benzyl-1H-Tetrazoles. Polyhedron 2018, 154, 325–333. https://doi.org/10.1016/j.poly.2018.08.001
ER  - 
@book{
author = "Andrejević, Tina P. and Nikolić, Andrea and Glišić, Biljana Đ. and Wadepohl, Hubert and Vojnović, Sandra and Zlatović, Mario and Petković, Miloš and Nikodinović-Runić, Jasmina and Opsenica, Igor and Đuran, Miloš I.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2992",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Supplementary data for the article: Andrejević, T. P.; Nikolić, A. M.; Glišić, B. Đ.; Wadepohl, H.; Vojnovic, S.; Zlatović, M.; Petković, M.; Nikodinovic-Runic, J.; Opsenica, I. M.; Djuran, M. I. Synthesis, Structural Characterization and Antimicrobial Activity of Silver(I) Complexes with 1-Benzyl-1H-Tetrazoles. Polyhedron 2018, 154, 325–333. https://doi.org/10.1016/j.poly.2018.08.001"
}
Andrejević, T. P., Nikolić, A., Glišić, B. Đ., Wadepohl, H., Vojnović, S., Zlatović, M., Petković, M., Nikodinović-Runić, J., Opsenica, I.,& Đuran, M. I. (2018). Supplementary data for the article: Andrejević, T. P.; Nikolić, A. M.; Glišić, B. Đ.; Wadepohl, H.; Vojnovic, S.; Zlatović, M.; Petković, M.; Nikodinovic-Runic, J.; Opsenica, I. M.; Djuran, M. I. Synthesis, Structural Characterization and Antimicrobial Activity of Silver(I) Complexes with 1-Benzyl-1H-Tetrazoles. Polyhedron 2018, 154, 325–333. https://doi.org/10.1016/j.poly.2018.08.001.
Polyhedron
Pergamon-Elsevier Science Ltd, Oxford..
Andrejević TP, Nikolić A, Glišić BĐ, Wadepohl H, Vojnović S, Zlatović M, Petković M, Nikodinović-Runić J, Opsenica I, Đuran MI. Supplementary data for the article: Andrejević, T. P.; Nikolić, A. M.; Glišić, B. Đ.; Wadepohl, H.; Vojnovic, S.; Zlatović, M.; Petković, M.; Nikodinovic-Runic, J.; Opsenica, I. M.; Djuran, M. I. Synthesis, Structural Characterization and Antimicrobial Activity of Silver(I) Complexes with 1-Benzyl-1H-Tetrazoles. Polyhedron 2018, 154, 325–333. https://doi.org/10.1016/j.poly.2018.08.001. Polyhedron. 2018;
Andrejević Tina P., Nikolić Andrea, Glišić Biljana Đ., Wadepohl Hubert, Vojnović Sandra, Zlatović Mario, Petković Miloš, Nikodinović-Runić Jasmina, Opsenica Igor, Đuran Miloš I., "Supplementary data for the article: Andrejević, T. P.; Nikolić, A. M.; Glišić, B. Đ.; Wadepohl, H.; Vojnovic, S.; Zlatović, M.; Petković, M.; Nikodinovic-Runic, J.; Opsenica, I. M.; Djuran, M. I. Synthesis, Structural Characterization and Antimicrobial Activity of Silver(I) Complexes with 1-Benzyl-1H-Tetrazoles. Polyhedron 2018, 154, 325–333. https://doi.org/10.1016/j.poly.2018.08.001" Polyhedron (2018)

Human serum albumin binding of certain antimalarials

Marković, Olivera S.; Cvijetić, Ilija; Zlatović, Mario; Opsenica, Igor; Konstantinović, Jelena M.; Terzić-Jovanović, Nataša; Šolaja, Bogdan A.; Verbić, Tatjana

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - JOUR
AU  - Marković, Olivera S.
AU  - Cvijetić, Ilija
AU  - Zlatović, Mario
AU  - Opsenica, Igor
AU  - Konstantinović, Jelena M.
AU  - Terzić-Jovanović, Nataša
AU  - Šolaja, Bogdan A.
AU  - Verbić, Tatjana
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2085
AB  - Interactions between eight in-house synthesized aminoquinolines, along with well-known chloroquine, and human serum albumin (HSA) have been studied by fluorescence spectroscopy. The synthesized aminoquinolines, despite being structurally diverse, were found to be very potent antimalarials. Fluorescence measurements indicate that three compounds having additional thiophene or benzothiophene substructure bind more strongly to HSA than other studied compounds. Competitive binding experiments indicate that these three compounds bind significantly stronger to warfarin compared to diazepam binding site. Fluorescence quenching at three temperatures (20, 25, and 37 degrees C) was analyzed using classical Stern-Volmer equation, and a static quenching mechanism was proposed. The enthalpy and entropy changes upon sulphur-containing compound-HSA interactions were calculated using Van't Hoff equation. Positive values of enthalpy and entropy changes indicate that non-specific, hydrophobic interactions are the main contributors to HSA-compound interaction. Molecular docking and calculated lipophilicity descriptors indicate the same, pointing out that the increased lipophilicity of sulphur-containing compounds might be a reason for their better binding to HSA. Obtained results might contribute to design of novel derivatives with improved-pharmacokinetic properties and drug efficacy. (C) 2017 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Human serum albumin binding of certain antimalarials
VL  - 192
SP  - 128
EP  - 139
DO  - 10.1016/j.saa.2017.10.061
ER  - 
@article{
author = "Marković, Olivera S. and Cvijetić, Ilija and Zlatović, Mario and Opsenica, Igor and Konstantinović, Jelena M. and Terzić-Jovanović, Nataša and Šolaja, Bogdan A. and Verbić, Tatjana",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2085",
abstract = "Interactions between eight in-house synthesized aminoquinolines, along with well-known chloroquine, and human serum albumin (HSA) have been studied by fluorescence spectroscopy. The synthesized aminoquinolines, despite being structurally diverse, were found to be very potent antimalarials. Fluorescence measurements indicate that three compounds having additional thiophene or benzothiophene substructure bind more strongly to HSA than other studied compounds. Competitive binding experiments indicate that these three compounds bind significantly stronger to warfarin compared to diazepam binding site. Fluorescence quenching at three temperatures (20, 25, and 37 degrees C) was analyzed using classical Stern-Volmer equation, and a static quenching mechanism was proposed. The enthalpy and entropy changes upon sulphur-containing compound-HSA interactions were calculated using Van't Hoff equation. Positive values of enthalpy and entropy changes indicate that non-specific, hydrophobic interactions are the main contributors to HSA-compound interaction. Molecular docking and calculated lipophilicity descriptors indicate the same, pointing out that the increased lipophilicity of sulphur-containing compounds might be a reason for their better binding to HSA. Obtained results might contribute to design of novel derivatives with improved-pharmacokinetic properties and drug efficacy. (C) 2017 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Human serum albumin binding of certain antimalarials",
volume = "192",
pages = "128-139",
doi = "10.1016/j.saa.2017.10.061"
}
Marković, O. S., Cvijetić, I., Zlatović, M., Opsenica, I., Konstantinović, J. M., Terzić-Jovanović, N., Šolaja, B. A.,& Verbić, T. (2018). Human serum albumin binding of certain antimalarials.
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 192, 128-139.
https://doi.org/10.1016/j.saa.2017.10.061
Marković OS, Cvijetić I, Zlatović M, Opsenica I, Konstantinović JM, Terzić-Jovanović N, Šolaja BA, Verbić T. Human serum albumin binding of certain antimalarials. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;192:128-139
Marković Olivera S., Cvijetić Ilija, Zlatović Mario, Opsenica Igor, Konstantinović Jelena M., Terzić-Jovanović Nataša, Šolaja Bogdan A., Verbić Tatjana, "Human serum albumin binding of certain antimalarials" Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 192 (2018):128-139,
https://doi.org/10.1016/j.saa.2017.10.061 .
10
10
10

Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061

Marković, Olivera S.; Cvijetić, Ilija; Zlatović, Mario; Opsenica, Igor; Konstantinović, Jelena M.; Terzić-Jovanović, Nataša; Šolaja, Bogdan A.; Verbić, Tatjana

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - BOOK
AU  - Marković, Olivera S.
AU  - Cvijetić, Ilija
AU  - Zlatović, Mario
AU  - Opsenica, Igor
AU  - Konstantinović, Jelena M.
AU  - Terzić-Jovanović, Nataša
AU  - Šolaja, Bogdan A.
AU  - Verbić, Tatjana
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2913
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061
ER  - 
@book{
author = "Marković, Olivera S. and Cvijetić, Ilija and Zlatović, Mario and Opsenica, Igor and Konstantinović, Jelena M. and Terzić-Jovanović, Nataša and Šolaja, Bogdan A. and Verbić, Tatjana",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2913",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061"
}
Marković, O. S., Cvijetić, I., Zlatović, M., Opsenica, I., Konstantinović, J. M., Terzić-Jovanović, N., Šolaja, B. A.,& Verbić, T. (2018). Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061.
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford..
Marković OS, Cvijetić I, Zlatović M, Opsenica I, Konstantinović JM, Terzić-Jovanović N, Šolaja BA, Verbić T. Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061. Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;
Marković Olivera S., Cvijetić Ilija, Zlatović Mario, Opsenica Igor, Konstantinović Jelena M., Terzić-Jovanović Nataša, Šolaja Bogdan A., Verbić Tatjana, "Supplementary data for the article: Marković, O. S.; Cvijetić, I. N.; Zlatović, M. V.; Opsenica, I. M.; Konstantinović, J. M.; Terzić Jovanović, N. V.; Šolaja, B. A.; Verbić, T. Ž. Human Serum Albumin Binding of Certain Antimalarials. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 192, 128–139. https://doi.org/10.1016/j.saa.2017.10.061" Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy (2018)

Supplementary material for the article: Lazić, J.; Ajdačić, V.; Vojnovic, S.; Zlatović, M.; Pekmezovic, M.; Mogavero, S.; Opsenica, I.; Nikodinovic-Runic, J. Bis-Guanylhydrazones as Efficient Anti-Candida Compounds through DNA Interaction. Appl Microbiol Biotechnol 2018, 102 (4), 1889–1901. https://doi.org/10.1007/s00253-018-8749-3

Lazić, Jelena O.; Ajdačić, Vladimir; Vojnović, Sandra; Zlatović, Mario; Pekmezović, Marina; Mogavero, Selene; Opsenica, Igor; Nikodinović-Runić, Jasmina

(Springer, New York, 2018)

TY  - BOOK
AU  - Lazić, Jelena O.
AU  - Ajdačić, Vladimir
AU  - Vojnović, Sandra
AU  - Zlatović, Mario
AU  - Pekmezović, Marina
AU  - Mogavero, Selene
AU  - Opsenica, Igor
AU  - Nikodinović-Runić, Jasmina
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3176
PB  - Springer, New York
T2  - Applied Microbiology and Biotechnology
T1  - Supplementary material for the article: Lazić, J.; Ajdačić, V.; Vojnovic, S.; Zlatović, M.; Pekmezovic, M.; Mogavero, S.; Opsenica,  I.; Nikodinovic-Runic, J. Bis-Guanylhydrazones as Efficient Anti-Candida Compounds  through DNA Interaction. Appl Microbiol Biotechnol 2018, 102 (4), 1889–1901.  https://doi.org/10.1007/s00253-018-8749-3
ER  - 
@book{
author = "Lazić, Jelena O. and Ajdačić, Vladimir and Vojnović, Sandra and Zlatović, Mario and Pekmezović, Marina and Mogavero, Selene and Opsenica, Igor and Nikodinović-Runić, Jasmina",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3176",
publisher = "Springer, New York",
journal = "Applied Microbiology and Biotechnology",
title = "Supplementary material for the article: Lazić, J.; Ajdačić, V.; Vojnovic, S.; Zlatović, M.; Pekmezovic, M.; Mogavero, S.; Opsenica,  I.; Nikodinovic-Runic, J. Bis-Guanylhydrazones as Efficient Anti-Candida Compounds  through DNA Interaction. Appl Microbiol Biotechnol 2018, 102 (4), 1889–1901.  https://doi.org/10.1007/s00253-018-8749-3"
}
Lazić, J. O., Ajdačić, V., Vojnović, S., Zlatović, M., Pekmezović, M., Mogavero, S., Opsenica, I.,& Nikodinović-Runić, J. (2018). Supplementary material for the article: Lazić, J.; Ajdačić, V.; Vojnovic, S.; Zlatović, M.; Pekmezovic, M.; Mogavero, S.; Opsenica,  I.; Nikodinovic-Runic, J. Bis-Guanylhydrazones as Efficient Anti-Candida Compounds  through DNA Interaction. Appl Microbiol Biotechnol 2018, 102 (4), 1889–1901.  https://doi.org/10.1007/s00253-018-8749-3.
Applied Microbiology and Biotechnology
Springer, New York..
Lazić JO, Ajdačić V, Vojnović S, Zlatović M, Pekmezović M, Mogavero S, Opsenica I, Nikodinović-Runić J. Supplementary material for the article: Lazić, J.; Ajdačić, V.; Vojnovic, S.; Zlatović, M.; Pekmezovic, M.; Mogavero, S.; Opsenica,  I.; Nikodinovic-Runic, J. Bis-Guanylhydrazones as Efficient Anti-Candida Compounds  through DNA Interaction. Appl Microbiol Biotechnol 2018, 102 (4), 1889–1901.  https://doi.org/10.1007/s00253-018-8749-3. Applied Microbiology and Biotechnology. 2018;
Lazić Jelena O., Ajdačić Vladimir, Vojnović Sandra, Zlatović Mario, Pekmezović Marina, Mogavero Selene, Opsenica Igor, Nikodinović-Runić Jasmina, "Supplementary material for the article: Lazić, J.; Ajdačić, V.; Vojnovic, S.; Zlatović, M.; Pekmezovic, M.; Mogavero, S.; Opsenica,  I.; Nikodinovic-Runic, J. Bis-Guanylhydrazones as Efficient Anti-Candida Compounds  through DNA Interaction. Appl Microbiol Biotechnol 2018, 102 (4), 1889–1901.  https://doi.org/10.1007/s00253-018-8749-3" Applied Microbiology and Biotechnology (2018)

Supplementary material for the article: Obradović, D.; Andrić, F.; Zlatović, M.; Agbaba, D. Modeling of Hansen’s Solubility Parameters of Aripiprazole, Ziprasidone, and Their Impurities: A Nonparametric Comparison of Models for Prediction of Drug Absorption Sites. Journal of Chemometrics 2018, 32 (4). https://doi.org/10.1002/cem.2996

Obradović, Darija; Andrić, Filip; Zlatović, Mario; Agbaba, Danica G.

(Wiley, Hoboken, 2018)

TY  - BOOK
AU  - Obradović, Darija
AU  - Andrić, Filip
AU  - Zlatović, Mario
AU  - Agbaba, Danica G.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3239
PB  - Wiley, Hoboken
T2  - Journal of Chemometrics
T1  - Supplementary material for the article: Obradović, D.; Andrić, F.; Zlatović, M.; Agbaba, D. Modeling of Hansen’s Solubility Parameters of Aripiprazole, Ziprasidone, and Their Impurities: A Nonparametric Comparison of Models for Prediction of Drug Absorption Sites. Journal of Chemometrics 2018, 32 (4). https://doi.org/10.1002/cem.2996
ER  - 
@book{
author = "Obradović, Darija and Andrić, Filip and Zlatović, Mario and Agbaba, Danica G.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3239",
publisher = "Wiley, Hoboken",
journal = "Journal of Chemometrics",
title = "Supplementary material for the article: Obradović, D.; Andrić, F.; Zlatović, M.; Agbaba, D. Modeling of Hansen’s Solubility Parameters of Aripiprazole, Ziprasidone, and Their Impurities: A Nonparametric Comparison of Models for Prediction of Drug Absorption Sites. Journal of Chemometrics 2018, 32 (4). https://doi.org/10.1002/cem.2996"
}
Obradović, D., Andrić, F., Zlatović, M.,& Agbaba, D. G. (2018). Supplementary material for the article: Obradović, D.; Andrić, F.; Zlatović, M.; Agbaba, D. Modeling of Hansen’s Solubility Parameters of Aripiprazole, Ziprasidone, and Their Impurities: A Nonparametric Comparison of Models for Prediction of Drug Absorption Sites. Journal of Chemometrics 2018, 32 (4). https://doi.org/10.1002/cem.2996.
Journal of Chemometrics
Wiley, Hoboken..
Obradović D, Andrić F, Zlatović M, Agbaba DG. Supplementary material for the article: Obradović, D.; Andrić, F.; Zlatović, M.; Agbaba, D. Modeling of Hansen’s Solubility Parameters of Aripiprazole, Ziprasidone, and Their Impurities: A Nonparametric Comparison of Models for Prediction of Drug Absorption Sites. Journal of Chemometrics 2018, 32 (4). https://doi.org/10.1002/cem.2996. Journal of Chemometrics. 2018;
Obradović Darija, Andrić Filip, Zlatović Mario, Agbaba Danica G., "Supplementary material for the article: Obradović, D.; Andrić, F.; Zlatović, M.; Agbaba, D. Modeling of Hansen’s Solubility Parameters of Aripiprazole, Ziprasidone, and Their Impurities: A Nonparametric Comparison of Models for Prediction of Drug Absorption Sites. Journal of Chemometrics 2018, 32 (4). https://doi.org/10.1002/cem.2996" Journal of Chemometrics (2018)

Anion-pi interactions in active centers of superoxide dismutases

Ribić, Vesna R.; Stojanović, Srđan Đ.; Zlatović, Mario

(Elsevier Science Bv, Amsterdam, 2018)

TY  - JOUR
AU  - Ribić, Vesna R.
AU  - Stojanović, Srđan Đ.
AU  - Zlatović, Mario
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2564
AB  - We investigated 1060 possible anion-pi interactions in a data set of 41 superoxide dismutase active centers. Our observations indicate that majority of the aromatic residues are capable to form anion-pi interactions, mainly by long-range contacts, and that there is preference of Trp over other aromatic residues in these interactions. Furthermore, 68% of total predicted interactions in the dataset are multiple anion-pi interactions. Anion-pi interactions are distance and orientation dependent. We analyzed the energy contribution resulting from anion-pi interactions using ab initio calculations. The results showed that, while most of their interaction energies lay in the range from -0 to -4 kcal mol(-1), those energies can be up to -9 kcal mol(-1) and about 34% of interactions were found to be repulsive. Majority of the suggested anion-pi interacting residues in ternary complexes are metal-assisted. Stabilization centers for these proteins showed that all the six residues found in predicted anion-pi interactions are important in locating one or more of such centers. The anion-pi interacting residues in these proteins were found to be highly conserved. We hope that these studies might contribute useful information regarding structural stability and its interaction in future designs of novel metalloproteins. (C) 2017 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - International Journal of Biological Macromolecules
T1  - Anion-pi interactions in active centers of superoxide dismutases
VL  - 106
SP  - 559
EP  - 568
DO  - 10.1016/j.ijbiomac.2017.08.050
ER  - 
@article{
author = "Ribić, Vesna R. and Stojanović, Srđan Đ. and Zlatović, Mario",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2564",
abstract = "We investigated 1060 possible anion-pi interactions in a data set of 41 superoxide dismutase active centers. Our observations indicate that majority of the aromatic residues are capable to form anion-pi interactions, mainly by long-range contacts, and that there is preference of Trp over other aromatic residues in these interactions. Furthermore, 68% of total predicted interactions in the dataset are multiple anion-pi interactions. Anion-pi interactions are distance and orientation dependent. We analyzed the energy contribution resulting from anion-pi interactions using ab initio calculations. The results showed that, while most of their interaction energies lay in the range from -0 to -4 kcal mol(-1), those energies can be up to -9 kcal mol(-1) and about 34% of interactions were found to be repulsive. Majority of the suggested anion-pi interacting residues in ternary complexes are metal-assisted. Stabilization centers for these proteins showed that all the six residues found in predicted anion-pi interactions are important in locating one or more of such centers. The anion-pi interacting residues in these proteins were found to be highly conserved. We hope that these studies might contribute useful information regarding structural stability and its interaction in future designs of novel metalloproteins. (C) 2017 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "International Journal of Biological Macromolecules",
title = "Anion-pi interactions in active centers of superoxide dismutases",
volume = "106",
pages = "559-568",
doi = "10.1016/j.ijbiomac.2017.08.050"
}
Ribić, V. R., Stojanović, S. Đ.,& Zlatović, M. (2018). Anion-pi interactions in active centers of superoxide dismutases.
International Journal of Biological Macromolecules
Elsevier Science Bv, Amsterdam., 106, 559-568.
https://doi.org/10.1016/j.ijbiomac.2017.08.050
Ribić VR, Stojanović SĐ, Zlatović M. Anion-pi interactions in active centers of superoxide dismutases. International Journal of Biological Macromolecules. 2018;106:559-568
Ribić Vesna R., Stojanović Srđan Đ., Zlatović Mario, "Anion-pi interactions in active centers of superoxide dismutases" International Journal of Biological Macromolecules, 106 (2018):559-568,
https://doi.org/10.1016/j.ijbiomac.2017.08.050 .
7
5
7

Anion-pi interactions in active centers of superoxide dismutases

Ribić, Vesna R.; Stojanović, Srđan Đ.; Zlatović, Mario

(Elsevier Science Bv, Amsterdam, 2018)

TY  - JOUR
AU  - Ribić, Vesna R.
AU  - Stojanović, Srđan Đ.
AU  - Zlatović, Mario
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3151
AB  - We investigated 1060 possible anion-pi interactions in a data set of 41 superoxide dismutase active centers. Our observations indicate that majority of the aromatic residues are capable to form anion-pi interactions, mainly by long-range contacts, and that there is preference of Trp over other aromatic residues in these interactions. Furthermore, 68% of total predicted interactions in the dataset are multiple anion-pi interactions. Anion-pi interactions are distance and orientation dependent. We analyzed the energy contribution resulting from anion-pi interactions using ab initio calculations. The results showed that, while most of their interaction energies lay in the range from -0 to -4 kcal mol(-1), those energies can be up to -9 kcal mol(-1) and about 34% of interactions were found to be repulsive. Majority of the suggested anion-pi interacting residues in ternary complexes are metal-assisted. Stabilization centers for these proteins showed that all the six residues found in predicted anion-pi interactions are important in locating one or more of such centers. The anion-pi interacting residues in these proteins were found to be highly conserved. We hope that these studies might contribute useful information regarding structural stability and its interaction in future designs of novel metalloproteins. (C) 2017 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - International Journal of Biological Macromolecules
T1  - Anion-pi interactions in active centers of superoxide dismutases
VL  - 106
SP  - 559
EP  - 568
DO  - 10.1016/j.ijbiomac.2017.08.050
ER  - 
@article{
author = "Ribić, Vesna R. and Stojanović, Srđan Đ. and Zlatović, Mario",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3151",
abstract = "We investigated 1060 possible anion-pi interactions in a data set of 41 superoxide dismutase active centers. Our observations indicate that majority of the aromatic residues are capable to form anion-pi interactions, mainly by long-range contacts, and that there is preference of Trp over other aromatic residues in these interactions. Furthermore, 68% of total predicted interactions in the dataset are multiple anion-pi interactions. Anion-pi interactions are distance and orientation dependent. We analyzed the energy contribution resulting from anion-pi interactions using ab initio calculations. The results showed that, while most of their interaction energies lay in the range from -0 to -4 kcal mol(-1), those energies can be up to -9 kcal mol(-1) and about 34% of interactions were found to be repulsive. Majority of the suggested anion-pi interacting residues in ternary complexes are metal-assisted. Stabilization centers for these proteins showed that all the six residues found in predicted anion-pi interactions are important in locating one or more of such centers. The anion-pi interacting residues in these proteins were found to be highly conserved. We hope that these studies might contribute useful information regarding structural stability and its interaction in future designs of novel metalloproteins. (C) 2017 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "International Journal of Biological Macromolecules",
title = "Anion-pi interactions in active centers of superoxide dismutases",
volume = "106",
pages = "559-568",
doi = "10.1016/j.ijbiomac.2017.08.050"
}
Ribić, V. R., Stojanović, S. Đ.,& Zlatović, M. (2018). Anion-pi interactions in active centers of superoxide dismutases.
International Journal of Biological Macromolecules
Elsevier Science Bv, Amsterdam., 106, 559-568.
https://doi.org/10.1016/j.ijbiomac.2017.08.050
Ribić VR, Stojanović SĐ, Zlatović M. Anion-pi interactions in active centers of superoxide dismutases. International Journal of Biological Macromolecules. 2018;106:559-568
Ribić Vesna R., Stojanović Srđan Đ., Zlatović Mario, "Anion-pi interactions in active centers of superoxide dismutases" International Journal of Biological Macromolecules, 106 (2018):559-568,
https://doi.org/10.1016/j.ijbiomac.2017.08.050 .
7
5
7

Supplementary material for the article: Ribić, V. R.; Stojanović, S. Đ.; Zlatović, M. V. Anion–π Interactions in Active Centers of Superoxide Dismutases. International Journal of Biological Macromolecules 2018, 106, 559–568. https://doi.org/10.1016/j.ijbiomac.2017.08.050

Ribić, Vesna R.; Stojanović, Srđan Đ.; Zlatović, Mario

(Elsevier Science Bv, Amsterdam, 2018)

TY  - BOOK
AU  - Ribić, Vesna R.
AU  - Stojanović, Srđan Đ.
AU  - Zlatović, Mario
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3152
PB  - Elsevier Science Bv, Amsterdam
T2  - International Journal of Biological Macromolecules
T1  - Supplementary material for the article: Ribić, V. R.; Stojanović, S. Đ.; Zlatović, M. V. Anion–π Interactions in Active Centers of Superoxide Dismutases. International Journal of Biological Macromolecules 2018, 106, 559–568. https://doi.org/10.1016/j.ijbiomac.2017.08.050
ER  - 
@book{
author = "Ribić, Vesna R. and Stojanović, Srđan Đ. and Zlatović, Mario",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3152",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "International Journal of Biological Macromolecules",
title = "Supplementary material for the article: Ribić, V. R.; Stojanović, S. Đ.; Zlatović, M. V. Anion–π Interactions in Active Centers of Superoxide Dismutases. International Journal of Biological Macromolecules 2018, 106, 559–568. https://doi.org/10.1016/j.ijbiomac.2017.08.050"
}
Ribić, V. R., Stojanović, S. Đ.,& Zlatović, M. (2018). Supplementary material for the article: Ribić, V. R.; Stojanović, S. Đ.; Zlatović, M. V. Anion–π Interactions in Active Centers of Superoxide Dismutases. International Journal of Biological Macromolecules 2018, 106, 559–568. https://doi.org/10.1016/j.ijbiomac.2017.08.050.
International Journal of Biological Macromolecules
Elsevier Science Bv, Amsterdam..
Ribić VR, Stojanović SĐ, Zlatović M. Supplementary material for the article: Ribić, V. R.; Stojanović, S. Đ.; Zlatović, M. V. Anion–π Interactions in Active Centers of Superoxide Dismutases. International Journal of Biological Macromolecules 2018, 106, 559–568. https://doi.org/10.1016/j.ijbiomac.2017.08.050. International Journal of Biological Macromolecules. 2018;
Ribić Vesna R., Stojanović Srđan Đ., Zlatović Mario, "Supplementary material for the article: Ribić, V. R.; Stojanović, S. Đ.; Zlatović, M. V. Anion–π Interactions in Active Centers of Superoxide Dismutases. International Journal of Biological Macromolecules 2018, 106, 559–568. https://doi.org/10.1016/j.ijbiomac.2017.08.050" International Journal of Biological Macromolecules (2018)

Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles

Andrejević, Tina P.; Nikolić, Andrea; Glišić, Biljana Đ.; Wadepohl, Hubert; Vojnović, Sandra; Zlatović, Mario; Petković, Miloš; Nikodinović-Runić, Jasmina; Opsenica, Igor; Đuran, Miloš I.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

TY  - JOUR
AU  - Andrejević, Tina P.
AU  - Nikolić, Andrea
AU  - Glišić, Biljana Đ.
AU  - Wadepohl, Hubert
AU  - Vojnović, Sandra
AU  - Zlatović, Mario
AU  - Petković, Miloš
AU  - Nikodinović-Runić, Jasmina
AU  - Opsenica, Igor
AU  - Đuran, Miloš I.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2228
AB  - Herein, we report the synthesis and structural characteristics of three tetrazole-containing compounds, 1-benzyl-1H-tetrazole (bntz), 1-benzyl-1H-tetrazol-5-amine (bntza) and 1-(4-methoxybenzyl)-1H-tetrazol-5-amine (mbntza) and the corresponding silver(I) complexes of the general formula [Ag(NO3-O)(L-N4)(2)](n), L = bntz (1), bntza (2) and mbntza (3). Silver(I) complexes 1-3 and 1-benzyl-1H-tetrazoles have been studied in detail by NMR, IR and UV-Vis spectroscopic methods and the structures of 1 and 2 have been determined by single-crystal X-ray diffraction analysis. The results of these analyses revealed a monodentate coordination of the ligands to Ag(I) ion via the N4 tetrazole nitrogen. The antimicrobial potential of silver(I) complexes 1-3 was evaluated against the broad panel of Gram-positive and Gram-negative bacteria and fungi, displaying their remarkable inhibiting activity with MIC (minimal inhibitory concentration) values in the range 2-8 and 0.16-1.25 mu g/mL (3.8-16.3 and 0.31-2.15 mu M), respectively. On the other hand, 1-benzyl-1H-tetrazoles used for the synthesis of the silver(I) complexes were not active against the investigated strains, suggesting that the activity of the complexes originates from the Ag(I) ion exclusively. Moreover, silver(I) complexes 1-3 have good therapeutic potential, which can be deduced from their moderate cytotoxicity on the human fibroblast cell line MRC5, with IC50 values falling in the range 30-60 mu g/mL (57.7-103.4 mu M). (C) 2018 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles
VL  - 154
SP  - 325
EP  - 333
DO  - 10.1016/j.poly.2018.08.001
ER  - 
@article{
author = "Andrejević, Tina P. and Nikolić, Andrea and Glišić, Biljana Đ. and Wadepohl, Hubert and Vojnović, Sandra and Zlatović, Mario and Petković, Miloš and Nikodinović-Runić, Jasmina and Opsenica, Igor and Đuran, Miloš I.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2228",
abstract = "Herein, we report the synthesis and structural characteristics of three tetrazole-containing compounds, 1-benzyl-1H-tetrazole (bntz), 1-benzyl-1H-tetrazol-5-amine (bntza) and 1-(4-methoxybenzyl)-1H-tetrazol-5-amine (mbntza) and the corresponding silver(I) complexes of the general formula [Ag(NO3-O)(L-N4)(2)](n), L = bntz (1), bntza (2) and mbntza (3). Silver(I) complexes 1-3 and 1-benzyl-1H-tetrazoles have been studied in detail by NMR, IR and UV-Vis spectroscopic methods and the structures of 1 and 2 have been determined by single-crystal X-ray diffraction analysis. The results of these analyses revealed a monodentate coordination of the ligands to Ag(I) ion via the N4 tetrazole nitrogen. The antimicrobial potential of silver(I) complexes 1-3 was evaluated against the broad panel of Gram-positive and Gram-negative bacteria and fungi, displaying their remarkable inhibiting activity with MIC (minimal inhibitory concentration) values in the range 2-8 and 0.16-1.25 mu g/mL (3.8-16.3 and 0.31-2.15 mu M), respectively. On the other hand, 1-benzyl-1H-tetrazoles used for the synthesis of the silver(I) complexes were not active against the investigated strains, suggesting that the activity of the complexes originates from the Ag(I) ion exclusively. Moreover, silver(I) complexes 1-3 have good therapeutic potential, which can be deduced from their moderate cytotoxicity on the human fibroblast cell line MRC5, with IC50 values falling in the range 30-60 mu g/mL (57.7-103.4 mu M). (C) 2018 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles",
volume = "154",
pages = "325-333",
doi = "10.1016/j.poly.2018.08.001"
}
Andrejević, T. P., Nikolić, A., Glišić, B. Đ., Wadepohl, H., Vojnović, S., Zlatović, M., Petković, M., Nikodinović-Runić, J., Opsenica, I.,& Đuran, M. I. (2018). Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles.
Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 154, 325-333.
https://doi.org/10.1016/j.poly.2018.08.001
Andrejević TP, Nikolić A, Glišić BĐ, Wadepohl H, Vojnović S, Zlatović M, Petković M, Nikodinović-Runić J, Opsenica I, Đuran MI. Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles. Polyhedron. 2018;154:325-333
Andrejević Tina P., Nikolić Andrea, Glišić Biljana Đ., Wadepohl Hubert, Vojnović Sandra, Zlatović Mario, Petković Miloš, Nikodinović-Runić Jasmina, Opsenica Igor, Đuran Miloš I., "Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles" Polyhedron, 154 (2018):325-333,
https://doi.org/10.1016/j.poly.2018.08.001 .
1
11
11
12

Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites

Obradović, Darija; Andrić, Filip; Zlatović, Mario; Agbaba, Danica G.

(Wiley, Hoboken, 2018)

TY  - JOUR
AU  - Obradović, Darija
AU  - Andrić, Filip
AU  - Zlatović, Mario
AU  - Agbaba, Danica G.
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2133
AB  - Aripiprazole and ziprasidone are atypical antipsychotic drugs with the effect on positive and negative symptoms of schizophrenia, mania, and mixed states of bipolar disorder. Hansen's solubility parameters, (d), (p), and (h), which account for dispersive, polarizable, and hydrogen bonding contributions to the overall cohesive energy of a compound, are often used to assess pharmacokinetic properties of drugs. However, no data exist of solubility parameters for the drugs of interest in this study. Therefore, in the present study, partial least square regression (PLS), artificial neural networks (ANNs), regression trees (RT), boosted trees (BT), and random forests (RF) were applied to estimate Hansen's solubility parameters of ziprasidone, aripiprazole, and their impurities/metabolic derivatives, targeting their biopharmaceutical classes and absorption routes. A training set of 47 structurally diverse and pharmacologically active compounds and 290 molecular descriptors and pharmaceutically important properties were used to build the prediction models. The modeling approaches were compared by the sum of ranking differences, using the consensus values as a reference for the unknowns and the experimentally determined values as a gold standard for the calibration set. In both instances, the PLS models, together with ANNs, demonstrated better performance than RT, BT and especially RF. Based on the best scored models, we were able to pinpoint the most probable absorption sites for each drug and the corresponding metabolite, i.e., the upper parts of the gastrointestinal tract, small intestine, or absorption along entire length of gastrointestinal tract.
PB  - Wiley, Hoboken
T2  - Journal of Chemometrics
T1  - Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites
VL  - 32
IS  - 4
DO  - 10.1002/cem.2996
ER  - 
@article{
author = "Obradović, Darija and Andrić, Filip and Zlatović, Mario and Agbaba, Danica G.",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2133",
abstract = "Aripiprazole and ziprasidone are atypical antipsychotic drugs with the effect on positive and negative symptoms of schizophrenia, mania, and mixed states of bipolar disorder. Hansen's solubility parameters, (d), (p), and (h), which account for dispersive, polarizable, and hydrogen bonding contributions to the overall cohesive energy of a compound, are often used to assess pharmacokinetic properties of drugs. However, no data exist of solubility parameters for the drugs of interest in this study. Therefore, in the present study, partial least square regression (PLS), artificial neural networks (ANNs), regression trees (RT), boosted trees (BT), and random forests (RF) were applied to estimate Hansen's solubility parameters of ziprasidone, aripiprazole, and their impurities/metabolic derivatives, targeting their biopharmaceutical classes and absorption routes. A training set of 47 structurally diverse and pharmacologically active compounds and 290 molecular descriptors and pharmaceutically important properties were used to build the prediction models. The modeling approaches were compared by the sum of ranking differences, using the consensus values as a reference for the unknowns and the experimentally determined values as a gold standard for the calibration set. In both instances, the PLS models, together with ANNs, demonstrated better performance than RT, BT and especially RF. Based on the best scored models, we were able to pinpoint the most probable absorption sites for each drug and the corresponding metabolite, i.e., the upper parts of the gastrointestinal tract, small intestine, or absorption along entire length of gastrointestinal tract.",
publisher = "Wiley, Hoboken",
journal = "Journal of Chemometrics",
title = "Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites",
volume = "32",
number = "4",
doi = "10.1002/cem.2996"
}
Obradović, D., Andrić, F., Zlatović, M.,& Agbaba, D. G. (2018). Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites.
Journal of Chemometrics
Wiley, Hoboken., 32(4).
https://doi.org/10.1002/cem.2996
Obradović D, Andrić F, Zlatović M, Agbaba DG. Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites. Journal of Chemometrics. 2018;32(4)
Obradović Darija, Andrić Filip, Zlatović Mario, Agbaba Danica G., "Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites" Journal of Chemometrics, 32, no. 4 (2018),
https://doi.org/10.1002/cem.2996 .
3
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Bis-guanylhydrazones as efficient anti-Candida compounds through DNA interaction

Lazić, Jelena O.; Ajdačić, Vladimir; Vojnović, Sandra; Zlatović, Mario; Pekmezović, Marina; Mogavero, Selene; Opsenica, Igor; Nikodinović-Runić, Jasmina

(Springer, New York, 2018)

TY  - JOUR
AU  - Lazić, Jelena O.
AU  - Ajdačić, Vladimir
AU  - Vojnović, Sandra
AU  - Zlatović, Mario
AU  - Pekmezović, Marina
AU  - Mogavero, Selene
AU  - Opsenica, Igor
AU  - Nikodinović-Runić, Jasmina
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2078
AB  - Candida spp. are leading causes of opportunistic mycoses, including life-threatening hospital-borne infections, and novel antifungals, preferably aiming targets that have not been used before, are constantly needed. Hydrazone-and guanidinecontaining molecules have shown a wide range of biological activities, including recently described excellent antifungal properties. In this study, four bis-guanylhydrazone derivatives (BG1-4) were generated following a previously developed synthetic route. Anti-Candida (two C. albicans, C. glabrata, and C. parapsilosis) minimal inhibitory concentrations (MICs) of bisguanylhydrazones were between 2 and 15.6 mu g/mL. They were also effective against preformed 48-h-old C. albicans biofilms. In vitroDNA interaction, circular dichroism, and molecular docking analysis showed the great ability of these compounds to bind fungal DNA. Competition with DNA-binding stain, exposure of phosphatidylserine at the outer layer of the cytoplasmic membrane, and activation of metacaspases were shown for BG3. This pro-apoptotic effect of BG3 was only partially due to the accumulation of reactive oxygen species in C. albicans, as only twofold MIC and higher concentrations of BG3 caused depolarization of mitochondrial membrane which was accompanied by the decrease of the activity of fungal mitochondrial dehydrogenases, while the activity of oxidative stress response enzymes glutathione reductase and catalase was not significantly affected. BG3 showed synergistic activity with amphotericin B with a fractional inhibitory concentration index of 0.5. It also exerted low cytotoxicity and the ability to inhibit epithelial cell (TR146) invasion and damage by virulent C. albicans SC5314. With further developments, BG3 may further progress in the antifungal pipeline as a DNA-targeting agent.
PB  - Springer, New York
T2  - Applied Microbiology and Biotechnology
T1  - Bis-guanylhydrazones as efficient anti-Candida compounds through DNA interaction
VL  - 102
IS  - 4
SP  - 1889
EP  - 1901
DO  - 10.1007/s00253-018-8749-3
ER  - 
@article{
author = "Lazić, Jelena O. and Ajdačić, Vladimir and Vojnović, Sandra and Zlatović, Mario and Pekmezović, Marina and Mogavero, Selene and Opsenica, Igor and Nikodinović-Runić, Jasmina",
year = "2018",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/2078",
abstract = "Candida spp. are leading causes of opportunistic mycoses, including life-threatening hospital-borne infections, and novel antifungals, preferably aiming targets that have not been used before, are constantly needed. Hydrazone-and guanidinecontaining molecules have shown a wide range of biological activities, including recently described excellent antifungal properties. In this study, four bis-guanylhydrazone derivatives (BG1-4) were generated following a previously developed synthetic route. Anti-Candida (two C. albicans, C. glabrata, and C. parapsilosis) minimal inhibitory concentrations (MICs) of bisguanylhydrazones were between 2 and 15.6 mu g/mL. They were also effective against preformed 48-h-old C. albicans biofilms. In vitroDNA interaction, circular dichroism, and molecular docking analysis showed the great ability of these compounds to bind fungal DNA. Competition with DNA-binding stain, exposure of phosphatidylserine at the outer layer of the cytoplasmic membrane, and activation of metacaspases were shown for BG3. This pro-apoptotic effect of BG3 was only partially due to the accumulation of reactive oxygen species in C. albicans, as only twofold MIC and higher concentrations of BG3 caused depolarization of mitochondrial membrane which was accompanied by the decrease of the activity of fungal mitochondrial dehydrogenases, while the activity of oxidative stress response enzymes glutathione reductase and catalase was not significantly affected. BG3 showed synergistic activity with amphotericin B with a fractional inhibitory concentration index of 0.5. It also exerted low cytotoxicity and the ability to inhibit epithelial cell (TR146) invasion and damage by virulent C. albicans SC5314. With further developments, BG3 may further progress in the antifungal pipeline as a DNA-targeting agent.",
publisher = "Springer, New York",
journal = "Applied Microbiology and Biotechnology",
title = "Bis-guanylhydrazones as efficient anti-Candida compounds through DNA interaction",
volume = "102",
number = "4",
pages = "1889-1901",
doi = "10.1007/s00253-018-8749-3"
}
Lazić, J. O., Ajdačić, V., Vojnović, S., Zlatović, M., Pekmezović, M., Mogavero, S., Opsenica, I.,& Nikodinović-Runić, J. (2018). Bis-guanylhydrazones as efficient anti-Candida compounds through DNA interaction.
Applied Microbiology and Biotechnology
Springer, New York., 102(4), 1889-1901.
https://doi.org/10.1007/s00253-018-8749-3
Lazić JO, Ajdačić V, Vojnović S, Zlatović M, Pekmezović M, Mogavero S, Opsenica I, Nikodinović-Runić J. Bis-guanylhydrazones as efficient anti-Candida compounds through DNA interaction. Applied Microbiology and Biotechnology. 2018;102(4):1889-1901
Lazić Jelena O., Ajdačić Vladimir, Vojnović Sandra, Zlatović Mario, Pekmezović Marina, Mogavero Selene, Opsenica Igor, Nikodinović-Runić Jasmina, "Bis-guanylhydrazones as efficient anti-Candida compounds through DNA interaction" Applied Microbiology and Biotechnology, 102, no. 4 (2018):1889-1901,
https://doi.org/10.1007/s00253-018-8749-3 .
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Long-Chain 4-Aminoquinolines as Quorum Sensing Inhibitors in Serratia marcescens and Pseudomonas aeruginosa

Aleksić, Ivana; Šegan, Sandra B.; Andrić, Filip; Zlatović, Mario; Morić, Ivana; Opsenica, Dejan M.; Šenerović, Lidija

(Amer Chemical Soc, Washington, 2017)

TY  - JOUR
AU  - Aleksić, Ivana
AU  - Šegan, Sandra B.
AU  - Andrić, Filip
AU  - Zlatović, Mario
AU  - Morić, Ivana
AU  - Opsenica, Dejan M.
AU  - Šenerović, Lidija
PY  - 2017
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3089
AB  - Antibiotic resistance has become a serious global threat to public health; therefore, improved strategies and structurally novel antimicrobials are urgently needed to combat infectious diseases. Here we report a new type of highly potent 4-aminoquinoline derivatives as quorum sensing inhibitors in Serratia marcescens and Pseudomonas aeruginosa, exhibiting weak bactericidal activities (minimum inhibitory concentration (MIC)  gt  400 mu M). Through detailed structure-activity study, we have identified 7-Cl and 7-CF3 substituted N-dodecylamino-4-aminoquinolines (5 and 10) as biofilm formation inhibitors with 50% biofilm inhibition at 69 mu M and 63 mu M in S. marcescens and P. aeruginosa, respectively. These two compounds, 5 and 10, are the first quinoline derivatives with anti-biofilm formation activity reported in S. marcescens. Quantitative structure-activity relationship (QSAR) analysis identified structural descriptors such as Wiener indices, hyper-distance-path index (HDPI), mean topological charge (MTC), topological charge index (TCI), and log D(o/w)exp as the most influential in biofilm inhibition in this bacterial species. Derivative 10 is one of the most potent quinoline type inhibitors of pyocyanin production described so far (IC50 = 2.5 mu M). While we have demonstrated that 5 and 10 act as Pseudomonas quinolone system (PQS) antagonists, the mechanism of inhibition of S. marcescens biofilm formation with these compounds remains open since signaling similar to P. aeruginosa PQS system has not yet been described in Serratia and activity of these compounds on acylhomoserine lactone (AHL) signaling has not been detected. Our data show that 7-Cl and 7-CF3 substituted N-dodecylamino-4-aminoquinolines present the promising scaffolds for developing antivirulence and anti-biofilm formation agents against multidrug-resistant bacterial species.
PB  - Amer Chemical Soc, Washington
T2  - ACS Chemical Biology
T1  - Long-Chain 4-Aminoquinolines as Quorum Sensing Inhibitors in Serratia marcescens and Pseudomonas aeruginosa
VL  - 12
IS  - 5
SP  - 1425
EP  - 1434
DO  - 10.1021/acschembio.6b01149
ER  - 
@article{
author = "Aleksić, Ivana and Šegan, Sandra B. and Andrić, Filip and Zlatović, Mario and Morić, Ivana and Opsenica, Dejan M. and Šenerović, Lidija",
year = "2017",
url = "http://cherry.chem.bg.ac.rs/handle/123456789/3089",
abstract = "Antibiotic resistance has become a serious global threat to public health; therefore, improved strategies and structurally novel antimicrobials are urgently needed to combat infectious diseases. Here we report a new type of highly potent 4-aminoquinoline derivatives as quorum sensing inhibitors in Serratia marcescens and Pseudomonas aeruginosa, exhibiting weak bactericidal activities (minimum inhibitory concentration (MIC)  gt  400 mu M). Through detailed structure-activity study, we have identified 7-Cl and 7-CF3 substituted N-dodecylamino-4-aminoquinolines (5 and 10) as biofilm formation inhibitors with 50% biofilm inhibition at 69 mu M and 63 mu M in S. marcescens and P. aeruginosa, respectively. These two compounds, 5 and 10, are the first quinoline derivatives with anti-biofilm formation activity reported in S. marcescens. Quantitative structure-activity relationship (QSAR) analysis identified structural descriptors such as Wiener indices, hyper-distance-path index (HDPI), mean topological charge (MTC), topological charge index (TCI), and log D(o/w)exp as the most influential in biofilm inhibition in this bacterial species. Derivative 10 is one of the most potent quinoline type inhibitors of pyocyanin production described so far (IC50 = 2.5 mu M). While we have demonstrated that 5 and 10 act as Pseudomonas quinolone system (PQS) antagonists, the mechanism of inhibition of S. marcescens biofilm formation with these compounds remains open since signaling similar to P. aeruginosa PQS system has not yet been described in Serratia and activity of these compounds on acylhomoserine lactone (AHL) signaling has not been detected. Our data show that 7-Cl and 7-CF3 substituted N-dodecylamino-4-aminoquinolines present the promising scaffolds for developing antivirulence and anti-biofilm formation agents against multidrug-resistant bacterial species.",
publisher = "Amer Chemical Soc, Washington",
journal = "ACS Chemical Biology",
title = "Long-Chain 4-Aminoquinolines as Quorum Sensing Inhibitors in Serratia marcescens and Pseudomonas aeruginosa",
volume = "12",
number = "5",
pages = "1425-1434",
doi = "10.1021/acschembio.6b01149"
}
Aleksić, I., Šegan, S. B., Andrić, F., Zlatović, M., Morić, I., Opsenica, D. M.,& Šenerović, L. (2017). Long-Chain 4-Aminoquinolines as Quorum Sensing Inhibitors in Serratia marcescens and Pseudomonas aeruginosa.
ACS Chemical Biology
Amer Chemical Soc, Washington., 12(5), 1425-1434.
https://doi.org/10.1021/acschembio.6b01149
Aleksić I, Šegan SB, Andrić F, Zlatović M, Morić I, Opsenica DM, Šenerović L. Long-Chain 4-Aminoquinolines as Quorum Sensing Inhibitors in Serratia marcescens and Pseudomonas aeruginosa. ACS Chemical Biology. 2017;12(5):1425-1434
Aleksić Ivana, Šegan Sandra B., Andrić Filip, Zlatović Mario, Morić Ivana, Opsenica Dejan M., Šenerović Lidija, "Long-Chain 4-Aminoquinolines as Quorum Sensing Inhibitors in Serratia marcescens and Pseudomonas aeruginosa" ACS Chemical Biology, 12, no. 5 (2017):1425-1434,
https://doi.org/10.1021/acschembio.6b01149 .
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