TY  - CONF
AU  - Stanišić, Marija D.
AU  - Ristić, Predrag
AU  - Balaž, Ana Marija
AU  - Senćanski, Milan
AU  - Mitić, Dragana
AU  - Prodanović, Radivoje
AU  - Todorović, Tamara
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5751
AB  - Novel industrial biocatalysts are needed which can offer advantages over traditional chemical processes with respect to sustainability, process efficiency, and reduced negative impact on the environment. Implementation of either native or mutated enzymes for various industrial applications is currently limited due to a lack of protein stability in harsh conditions. Metal-organic frameworks (MOFs), known for their ultra-high porosity and crystallinity, are perfect host materials that can protect guest enzymes from inhospitable external environments. Herein we show that the surface charge and chemistry of a protein determine its ability to seed MOF growth. We demonstrate that chemical modification of carbohydrate parts on the protein surface is an effective method for controlling biomimetic mineralization by zeolitic imidazolate framework-8 (ZIF-8). Protein charge, mixing of reactants, and stirring speed have been demonstrated to play important roles in controlling biomineralization reaction rate, particle shape, and morphology. This study highlights the important role played by protein surface chemistry in encapsulation and outlines a general method for facilitating the biomimetic mineralization of glycoproteins.
C3  - EUROBIOTECH 8th Central European Congress of Life Sciences, 20-22 June 2022, Krakow, Poland
T1  - Efficient enzyme@MOF composites for biocatalysis
SP  - 138
EP  - 138
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5751
ER  - 

@conference{
author = "Stanišić, Marija D. and Ristić, Predrag and Balaž, Ana Marija and Senćanski, Milan and Mitić, Dragana and Prodanović, Radivoje and Todorović, Tamara",
year = "2022",
abstract = "Novel industrial biocatalysts are needed which can offer advantages over traditional chemical processes with respect to sustainability, process efficiency, and reduced negative impact on the environment. Implementation of either native or mutated enzymes for various industrial applications is currently limited due to a lack of protein stability in harsh conditions. Metal-organic frameworks (MOFs), known for their ultra-high porosity and crystallinity, are perfect host materials that can protect guest enzymes from inhospitable external environments. Herein we show that the surface charge and chemistry of a protein determine its ability to seed MOF growth. We demonstrate that chemical modification of carbohydrate parts on the protein surface is an effective method for controlling biomimetic mineralization by zeolitic imidazolate framework-8 (ZIF-8). Protein charge, mixing of reactants, and stirring speed have been demonstrated to play important roles in controlling biomineralization reaction rate, particle shape, and morphology. This study highlights the important role played by protein surface chemistry in encapsulation and outlines a general method for facilitating the biomimetic mineralization of glycoproteins.",
journal = "EUROBIOTECH 8th Central European Congress of Life Sciences, 20-22 June 2022, Krakow, Poland",
title = "Efficient enzyme@MOF composites for biocatalysis",
pages = "138-138",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5751"
}

Stanišić, M. D., Ristić, P., Balaž, A. M., Senćanski, M., Mitić, D., Prodanović, R.,& Todorović, T.. (2022). Efficient enzyme@MOF composites for biocatalysis. in EUROBIOTECH 8th Central European Congress of Life Sciences, 20-22 June 2022, Krakow, Poland, 138-138.
https://hdl.handle.net/21.15107/rcub_cherry_5751

Stanišić MD, Ristić P, Balaž AM, Senćanski M, Mitić D, Prodanović R, Todorović T. Efficient enzyme@MOF composites for biocatalysis. in EUROBIOTECH 8th Central European Congress of Life Sciences, 20-22 June 2022, Krakow, Poland. 2022;:138-138.
https://hdl.handle.net/21.15107/rcub_cherry_5751 .

Stanišić, Marija D., Ristić, Predrag, Balaž, Ana Marija, Senćanski, Milan, Mitić, Dragana, Prodanović, Radivoje, Todorović, Tamara, "Efficient enzyme@MOF composites for biocatalysis" in EUROBIOTECH 8th Central European Congress of Life Sciences, 20-22 June 2022, Krakow, Poland (2022):138-138,
https://hdl.handle.net/21.15107/rcub_cherry_5751 .

TY  - JOUR
AU  - Senćanski, Milan
AU  - Perović, Vladimir
AU  - Milićević, Jelena
AU  - Todorović, Tamara
AU  - Prodanović, Radivoje
AU  - Veljković, Veljko
AU  - Paessler, Slobodan
AU  - Glišić, Sanja
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5041
AB  - In the currentpandemic,findingan effectivedrugto preventortreatthe infectionis the highestpriority.A rapidand safeapproachto counteractCOVID-19is in silicodrugrepurposing.The SARS-CoV-2PLpropromotesviral replicationand modu-latesthe hostimmunesystem,resultingin inhibitionof thehostantiviralinnateimmuneresponse,and thereforeis anattractivedrugtarget.In this study,we useda combinedinsilicovirtualscreeningfor candidatesfor SARS-CoV-2PLproproteaseinhibitors.We usedthe Informationalspectrummethodappliedfor SmallMoleculesfor searchingthe Drugbankdatabasefollowedby moleculardocking.Afterin silicoscreen-ing of drugspace,we identified44 drugsas potentialSARS-CoV-2PLproinhibitorsthat we proposefor furtherexperimentaltesting.
PB  - Wiley-VCH
T2  - ChemistryOpen
T1  - Identification of SARS-CoV-2 Papain-like Protease (PLpro) Inhibitors Using Combined Computational Approach
VL  - 11
IS  - 2
SP  - e202100248
DO  - 10.1002/open.202100248
ER  - 

@article{
author = "Senćanski, Milan and Perović, Vladimir and Milićević, Jelena and Todorović, Tamara and Prodanović, Radivoje and Veljković, Veljko and Paessler, Slobodan and Glišić, Sanja",
year = "2022",
abstract = "In the currentpandemic,findingan effectivedrugto preventortreatthe infectionis the highestpriority.A rapidand safeapproachto counteractCOVID-19is in silicodrugrepurposing.The SARS-CoV-2PLpropromotesviral replicationand modu-latesthe hostimmunesystem,resultingin inhibitionof thehostantiviralinnateimmuneresponse,and thereforeis anattractivedrugtarget.In this study,we useda combinedinsilicovirtualscreeningfor candidatesfor SARS-CoV-2PLproproteaseinhibitors.We usedthe Informationalspectrummethodappliedfor SmallMoleculesfor searchingthe Drugbankdatabasefollowedby moleculardocking.Afterin silicoscreen-ing of drugspace,we identified44 drugsas potentialSARS-CoV-2PLproinhibitorsthat we proposefor furtherexperimentaltesting.",
publisher = "Wiley-VCH",
journal = "ChemistryOpen",
title = "Identification of SARS-CoV-2 Papain-like Protease (PLpro) Inhibitors Using Combined Computational Approach",
volume = "11",
number = "2",
pages = "e202100248",
doi = "10.1002/open.202100248"
}

Senćanski, M., Perović, V., Milićević, J., Todorović, T., Prodanović, R., Veljković, V., Paessler, S.,& Glišić, S.. (2022). Identification of SARS-CoV-2 Papain-like Protease (PLpro) Inhibitors Using Combined Computational Approach. in ChemistryOpen
Wiley-VCH., 11(2), e202100248.
https://doi.org/10.1002/open.202100248

Senćanski M, Perović V, Milićević J, Todorović T, Prodanović R, Veljković V, Paessler S, Glišić S. Identification of SARS-CoV-2 Papain-like Protease (PLpro) Inhibitors Using Combined Computational Approach. in ChemistryOpen. 2022;11(2):e202100248.
doi:10.1002/open.202100248 .

Senćanski, Milan, Perović, Vladimir, Milićević, Jelena, Todorović, Tamara, Prodanović, Radivoje, Veljković, Veljko, Paessler, Slobodan, Glišić, Sanja, "Identification of SARS-CoV-2 Papain-like Protease (PLpro) Inhibitors Using Combined Computational Approach" in ChemistryOpen, 11, no. 2 (2022):e202100248,
https://doi.org/10.1002/open.202100248 . .

TY  - GEN
AU  - Todorović, Tamara
AU  - Prodanović, Radivoje
AU  - Senćanski, Milan
AU  - Balaž, Ana Marija
AU  - Ristić, Predrag
AU  - Stanišić, Marija D.
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5755
T2  - Seminar za studente, Beograd, 28. maj 2022.
T1  - Materijal za studente sa seminara projekta SYMBIOSIS
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5755
ER  - 

@misc{
author = "Todorović, Tamara and Prodanović, Radivoje and Senćanski, Milan and Balaž, Ana Marija and Ristić, Predrag and Stanišić, Marija D.",
year = "2022",
journal = "Seminar za studente, Beograd, 28. maj 2022.",
title = "Materijal za studente sa seminara projekta SYMBIOSIS",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5755"
}

Todorović, T., Prodanović, R., Senćanski, M., Balaž, A. M., Ristić, P.,& Stanišić, M. D.. (2022). Materijal za studente sa seminara projekta SYMBIOSIS. in Seminar za studente, Beograd, 28. maj 2022..
https://hdl.handle.net/21.15107/rcub_cherry_5755

Todorović T, Prodanović R, Senćanski M, Balaž AM, Ristić P, Stanišić MD. Materijal za studente sa seminara projekta SYMBIOSIS. in Seminar za studente, Beograd, 28. maj 2022.. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_5755 .

Todorović, Tamara, Prodanović, Radivoje, Senćanski, Milan, Balaž, Ana Marija, Ristić, Predrag, Stanišić, Marija D., "Materijal za studente sa seminara projekta SYMBIOSIS" in Seminar za studente, Beograd, 28. maj 2022. (2022),
https://hdl.handle.net/21.15107/rcub_cherry_5755 .

TY  - JOUR
AU  - Stanišić, Marija D.
AU  - Popović Kokar, Nikolina
AU  - Ristić, Predrag
AU  - Balaž, Ana Marija
AU  - Senćanski, Milan
AU  - Ognjanović, Miloš
AU  - Đokić, Veljko R.
AU  - Prodanović, Radivoje
AU  - Todorović, Tamara
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4782
AB  - Zeolitic imidazolate framework-8 (ZIF-8) is widely used as a protective coating to encapsulate proteins via biomimetic mineralization. The formation of nucleation centers and further biocomposite crystal growth is entirely governed by the pure electrostatic interactions between the protein’s surface and the positively charged Zn(II) metal ions. It was previously shown that enhancing these electrostatic interactions by a chemical modification of surface amino acid residues can lead to a rapid biocomposite crystal formation. However, a chemical modification of carbohydrate components by periodate oxidation for glycoproteins can serve as an alternative strategy. In the present study, an industrially important enzyme glucose oxidase (GOx) was selected as a model system. Periodate oxidation of GOx by 2.5 mM sodium periodate increased negative charge on the enzyme molecule, from −10.2 to −36.9 mV, as shown by zeta potential measurements and native PAGE electrophoresis. Biomineralization experiments with oxidized GOx resulted in higher specific activity, effectiveness factor, and higher thermostability of the ZIF-8 biocomposites. Periodate oxidation of carbohydrate components for glycoproteins can serve as a facile and general method for facilitating the biomimetic mineralization of other industrially relevant glycoproteins.
PB  - MDPI
T2  - Polymers
T1  - Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase
VL  - 13
IS  - 22
SP  - 3875
DO  - 10.3390/polym13223875
ER  - 

@article{
author = "Stanišić, Marija D. and Popović Kokar, Nikolina and Ristić, Predrag and Balaž, Ana Marija and Senćanski, Milan and Ognjanović, Miloš and Đokić, Veljko R. and Prodanović, Radivoje and Todorović, Tamara",
year = "2021",
abstract = "Zeolitic imidazolate framework-8 (ZIF-8) is widely used as a protective coating to encapsulate proteins via biomimetic mineralization. The formation of nucleation centers and further biocomposite crystal growth is entirely governed by the pure electrostatic interactions between the protein’s surface and the positively charged Zn(II) metal ions. It was previously shown that enhancing these electrostatic interactions by a chemical modification of surface amino acid residues can lead to a rapid biocomposite crystal formation. However, a chemical modification of carbohydrate components by periodate oxidation for glycoproteins can serve as an alternative strategy. In the present study, an industrially important enzyme glucose oxidase (GOx) was selected as a model system. Periodate oxidation of GOx by 2.5 mM sodium periodate increased negative charge on the enzyme molecule, from −10.2 to −36.9 mV, as shown by zeta potential measurements and native PAGE electrophoresis. Biomineralization experiments with oxidized GOx resulted in higher specific activity, effectiveness factor, and higher thermostability of the ZIF-8 biocomposites. Periodate oxidation of carbohydrate components for glycoproteins can serve as a facile and general method for facilitating the biomimetic mineralization of other industrially relevant glycoproteins.",
publisher = "MDPI",
journal = "Polymers",
title = "Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase",
volume = "13",
number = "22",
pages = "3875",
doi = "10.3390/polym13223875"
}

Stanišić, M. D., Popović Kokar, N., Ristić, P., Balaž, A. M., Senćanski, M., Ognjanović, M., Đokić, V. R., Prodanović, R.,& Todorović, T.. (2021). Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase. in Polymers
MDPI., 13(22), 3875.
https://doi.org/10.3390/polym13223875

Stanišić MD, Popović Kokar N, Ristić P, Balaž AM, Senćanski M, Ognjanović M, Đokić VR, Prodanović R, Todorović T. Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase. in Polymers. 2021;13(22):3875.
doi:10.3390/polym13223875 .

Stanišić, Marija D., Popović Kokar, Nikolina, Ristić, Predrag, Balaž, Ana Marija, Senćanski, Milan, Ognjanović, Miloš, Đokić, Veljko R., Prodanović, Radivoje, Todorović, Tamara, "Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase" in Polymers, 13, no. 22 (2021):3875,
https://doi.org/10.3390/polym13223875 . .

TY  - DATA
AU  - Stanišić, Marija D.
AU  - Popović Kokar, Nikolina
AU  - Ristić, Predrag
AU  - Balaž, Ana Marija
AU  - Senćanski, Milan
AU  - Ognjanović, Miloš
AU  - Đokić, Veljko R.
AU  - Prodanović, Radivoje
AU  - Todorović, Tamara
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5741
T1  - Primary research data for: Stanišić, M. D., Popović Kokar, N., Ristić, P., Balaž, A. M., Senćanski, M., Ognjanović, M., Đokić, V. R., Prodanović, R.,& Todorović, T.. (2021). Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase. in Polymers
MDPI., 13(22), 3875.
https://doi.org/10.3390/polym13223875
VL  - 13
IS  - 22
SP  - 3875
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5741
ER  - 

@misc{
author = "Stanišić, Marija D. and Popović Kokar, Nikolina and Ristić, Predrag and Balaž, Ana Marija and Senćanski, Milan and Ognjanović, Miloš and Đokić, Veljko R. and Prodanović, Radivoje and Todorović, Tamara",
year = "2021",
title = "Primary research data for: Stanišić, M. D., Popović Kokar, N., Ristić, P., Balaž, A. M., Senćanski, M., Ognjanović, M., Đokić, V. R., Prodanović, R.,& Todorović, T.. (2021). Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase. in Polymers
MDPI., 13(22), 3875.
https://doi.org/10.3390/polym13223875",
volume = "13",
number = "22",
pages = "3875",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5741"
}

Stanišić, M. D., Popović Kokar, N., Ristić, P., Balaž, A. M., Senćanski, M., Ognjanović, M., Đokić, V. R., Prodanović, R.,& Todorović, T.. (2021). Primary research data for: Stanišić, M. D., Popović Kokar, N., Ristić, P., Balaž, A. M., Senćanski, M., Ognjanović, M., Đokić, V. R., Prodanović, R.,& Todorović, T.. (2021). Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase. in Polymers
MDPI., 13(22), 3875.
https://doi.org/10.3390/polym13223875. , 13(22), 3875.
https://hdl.handle.net/21.15107/rcub_cherry_5741

Stanišić MD, Popović Kokar N, Ristić P, Balaž AM, Senćanski M, Ognjanović M, Đokić VR, Prodanović R, Todorović T. Primary research data for: Stanišić, M. D., Popović Kokar, N., Ristić, P., Balaž, A. M., Senćanski, M., Ognjanović, M., Đokić, V. R., Prodanović, R.,& Todorović, T.. (2021). Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase. in Polymers
MDPI., 13(22), 3875.
https://doi.org/10.3390/polym13223875. 2021;13(22):3875.
https://hdl.handle.net/21.15107/rcub_cherry_5741 .

Stanišić, Marija D., Popović Kokar, Nikolina, Ristić, Predrag, Balaž, Ana Marija, Senćanski, Milan, Ognjanović, Miloš, Đokić, Veljko R., Prodanović, Radivoje, Todorović, Tamara, "Primary research data for: Stanišić, M. D., Popović Kokar, N., Ristić, P., Balaž, A. M., Senćanski, M., Ognjanović, M., Đokić, V. R., Prodanović, R.,& Todorović, T.. (2021). Chemical Modification of Glycoproteins’ Carbohydrate Moiety as a General Strategy for the Synthesis of Efficient Biocatalysts by Biomimetic Mineralization: The Case of Glucose Oxidase. in Polymers
MDPI., 13(22), 3875.
https://doi.org/10.3390/polym13223875", 13, no. 22 (2021):3875,
https://hdl.handle.net/21.15107/rcub_cherry_5741 .

TY  - CONF
AU  - Balaž, Ana Marija
AU  - Crnoglavac Popović, Milica
AU  - Stanišić, Marija D.
AU  - Ristić, Predrag
AU  - Senćanski, Milan
AU  - Todorović, Tamara
AU  - Prodanović, Radivoje
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5747
AB  - Enzyme immobilization enables maintenance of enzyme activity and structural stability even in adverse conditions 1. Structural changes in enzymes that can occur due to the action of organic solvents, inhibitors or increased temperature can be prevented by immobilization of the enzymes in metal–organic frameworks (MOFs). It is reported that several enzymes, such as cytochrome c and horseradish peroxidase (HRP) have been successfully incorporated into MOFs 2. The aim of this work is to produce wild type horseradish peroxidase, isoform C1A, and several mutants specially designed to increase the activity and stability of HRP while immobilized within selected MOFs. Wild type and its variants were produced in metalotrophic yeast, Pichia pastoris KM71H strain, their activity and basic kinetic parameters were determined and compared prior imobilization.
C3  - Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac
T1  - Horseradish peroxidase C1A wild type gene and its variants expressed in Pichia pastoris KM71H strain
SP  - 49
EP  - 49
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5747
ER  - 

@conference{
author = "Balaž, Ana Marija and Crnoglavac Popović, Milica and Stanišić, Marija D. and Ristić, Predrag and Senćanski, Milan and Todorović, Tamara and Prodanović, Radivoje",
year = "2021",
abstract = "Enzyme immobilization enables maintenance of enzyme activity and structural stability even in adverse conditions 1. Structural changes in enzymes that can occur due to the action of organic solvents, inhibitors or increased temperature can be prevented by immobilization of the enzymes in metal–organic frameworks (MOFs). It is reported that several enzymes, such as cytochrome c and horseradish peroxidase (HRP) have been successfully incorporated into MOFs 2. The aim of this work is to produce wild type horseradish peroxidase, isoform C1A, and several mutants specially designed to increase the activity and stability of HRP while immobilized within selected MOFs. Wild type and its variants were produced in metalotrophic yeast, Pichia pastoris KM71H strain, their activity and basic kinetic parameters were determined and compared prior imobilization.",
journal = "Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac",
title = "Horseradish peroxidase C1A wild type gene and its variants expressed in Pichia pastoris KM71H strain",
pages = "49-49",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5747"
}

Balaž, A. M., Crnoglavac Popović, M., Stanišić, M. D., Ristić, P., Senćanski, M., Todorović, T.,& Prodanović, R.. (2021). Horseradish peroxidase C1A wild type gene and its variants expressed in Pichia pastoris KM71H strain. in Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac, 49-49.
https://hdl.handle.net/21.15107/rcub_cherry_5747

Balaž AM, Crnoglavac Popović M, Stanišić MD, Ristić P, Senćanski M, Todorović T, Prodanović R. Horseradish peroxidase C1A wild type gene and its variants expressed in Pichia pastoris KM71H strain. in Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac. 2021;:49-49.
https://hdl.handle.net/21.15107/rcub_cherry_5747 .

Balaž, Ana Marija, Crnoglavac Popović, Milica, Stanišić, Marija D., Ristić, Predrag, Senćanski, Milan, Todorović, Tamara, Prodanović, Radivoje, "Horseradish peroxidase C1A wild type gene and its variants expressed in Pichia pastoris KM71H strain" in Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac (2021):49-49,
https://hdl.handle.net/21.15107/rcub_cherry_5747 .

TY  - CONF
AU  - Stanišić, Marija D.
AU  - Popović, Nikolina
AU  - Ristić, Predrag
AU  - Balaž, Ana Marija
AU  - Senćanski, Milan
AU  - Prodanović, Radivoje
AU  - Todorović, Tamara
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5748
AB  - Glucose oxidase (GOx) is an enzyme that belongs to a group of oxidoreductases. This enzyme catalyzes the oxidation of glucose to gluconic acid using molecular oxygen as an electron acceptor. Glucose oxidase contains carbohydrates in its structure, most often mannose and glucose (11-13%) 1. Durability of GOx in harsh conditions can be enhanced by encapsulation within metal–organic frameworks via a process called biomimetic mineralisation. We demonstrate that chemical modification of carbohydrate parts on the protein surface by periodate oxidation is an effective method for control of biomimetic mineralisation by zeolitic imidazolate framework-8 (ZIF-8). Obtained GOx-ZIF-8 biocomposite had the higher half-life at 65oC, and higher specific activity than native GOx.
PB  - Beograd : Biohemijsko društvo Srbije
C3  - Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac, Book of Abstracts
T1  - Biomimetic mineralisation of periodate oxidized glucose oxidase
SP  - 148
EP  - 148
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5748
ER  - 

@conference{
author = "Stanišić, Marija D. and Popović, Nikolina and Ristić, Predrag and Balaž, Ana Marija and Senćanski, Milan and Prodanović, Radivoje and Todorović, Tamara",
year = "2021",
abstract = "Glucose oxidase (GOx) is an enzyme that belongs to a group of oxidoreductases. This enzyme catalyzes the oxidation of glucose to gluconic acid using molecular oxygen as an electron acceptor. Glucose oxidase contains carbohydrates in its structure, most often mannose and glucose (11-13%) 1. Durability of GOx in harsh conditions can be enhanced by encapsulation within metal–organic frameworks via a process called biomimetic mineralisation. We demonstrate that chemical modification of carbohydrate parts on the protein surface by periodate oxidation is an effective method for control of biomimetic mineralisation by zeolitic imidazolate framework-8 (ZIF-8). Obtained GOx-ZIF-8 biocomposite had the higher half-life at 65oC, and higher specific activity than native GOx.",
publisher = "Beograd : Biohemijsko društvo Srbije",
journal = "Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac, Book of Abstracts",
title = "Biomimetic mineralisation of periodate oxidized glucose oxidase",
pages = "148-148",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5748"
}

Stanišić, M. D., Popović, N., Ristić, P., Balaž, A. M., Senćanski, M., Prodanović, R.,& Todorović, T.. (2021). Biomimetic mineralisation of periodate oxidized glucose oxidase. in Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac, Book of Abstracts
Beograd : Biohemijsko društvo Srbije., 148-148.
https://hdl.handle.net/21.15107/rcub_cherry_5748

Stanišić MD, Popović N, Ristić P, Balaž AM, Senćanski M, Prodanović R, Todorović T. Biomimetic mineralisation of periodate oxidized glucose oxidase. in Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac, Book of Abstracts. 2021;:148-148.
https://hdl.handle.net/21.15107/rcub_cherry_5748 .

Stanišić, Marija D., Popović, Nikolina, Ristić, Predrag, Balaž, Ana Marija, Senćanski, Milan, Prodanović, Radivoje, Todorović, Tamara, "Biomimetic mineralisation of periodate oxidized glucose oxidase" in Tenth Conference of Serbian Biochemical Society, 24 September 2021, Kragujevac, Book of Abstracts (2021):148-148,
https://hdl.handle.net/21.15107/rcub_cherry_5748 .

TY  - CONF
AU  - Senćanski, Milan
AU  - Prodanović, Radivoje
AU  - Ristić, Predrag
AU  - Balaž, Ana Marija
AU  - Stanišić, Marija D.
AU  - Todorović, Tamara
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5749
AB  - Enzymes as industrial biocatalysts offer numerous advantages over traditional chemical processes
concerning sustainability and process efficiency. Immobilization of enzymes on solid supporters is
one of the key strategies for improving the practical performances of enzymes.
Metal-organic frameworks (MOFs) are promising candidates for enzyme immobilization. MOFs are
porous coordination polymers consisting of metal-containing nodes and organic ligands linked
through coordination bonds. It has been demonstrated that proteins can be successfully immobilized
even in MOF pores whose apertures are smaller than the molecular dimension of the protein due to its
conformational flexibility.
For our study, we selected horseradish peroxidase (HRP) encapsulated in MOF PCN-888(Al). We
report the modelling of PCN-888(Al) MOF and the design of novel HRP mutants, which determine
their enzymatic activity and magnitude of intermolecular interactions with MOF. Using a combined
in silico approach, consisting of Informational Spectrum Method (ISM) bioinformatics method,
molecular docking and molecular dynamics simulations, we propose new HRP mutants, which show
higher/lower specific catalytic activity and higher/lower MOF-HRP dissociation constant, compared
to the wild type of enzyme.
PB  - Materials Research Society of Serbia
C3  - Twenty-Second Annual Conference YUCOMAT 2021, Herceg Novi, Montenegro, August 30 - September 3, 2021
T1  - Modelling of catalytic activity and enzyme-MOF interactions using combined in silico approach
SP  - 124
EP  - 124
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5749
ER  - 

@conference{
author = "Senćanski, Milan and Prodanović, Radivoje and Ristić, Predrag and Balaž, Ana Marija and Stanišić, Marija D. and Todorović, Tamara",
year = "2021",
abstract = "Enzymes as industrial biocatalysts offer numerous advantages over traditional chemical processes
concerning sustainability and process efficiency. Immobilization of enzymes on solid supporters is
one of the key strategies for improving the practical performances of enzymes.
Metal-organic frameworks (MOFs) are promising candidates for enzyme immobilization. MOFs are
porous coordination polymers consisting of metal-containing nodes and organic ligands linked
through coordination bonds. It has been demonstrated that proteins can be successfully immobilized
even in MOF pores whose apertures are smaller than the molecular dimension of the protein due to its
conformational flexibility.
For our study, we selected horseradish peroxidase (HRP) encapsulated in MOF PCN-888(Al). We
report the modelling of PCN-888(Al) MOF and the design of novel HRP mutants, which determine
their enzymatic activity and magnitude of intermolecular interactions with MOF. Using a combined
in silico approach, consisting of Informational Spectrum Method (ISM) bioinformatics method,
molecular docking and molecular dynamics simulations, we propose new HRP mutants, which show
higher/lower specific catalytic activity and higher/lower MOF-HRP dissociation constant, compared
to the wild type of enzyme.",
publisher = "Materials Research Society of Serbia",
journal = "Twenty-Second Annual Conference YUCOMAT 2021, Herceg Novi, Montenegro, August 30 - September 3, 2021",
title = "Modelling of catalytic activity and enzyme-MOF interactions using combined in silico approach",
pages = "124-124",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5749"
}

Senćanski, M., Prodanović, R., Ristić, P., Balaž, A. M., Stanišić, M. D.,& Todorović, T.. (2021). Modelling of catalytic activity and enzyme-MOF interactions using combined in silico approach. in Twenty-Second Annual Conference YUCOMAT 2021, Herceg Novi, Montenegro, August 30 - September 3, 2021
Materials Research Society of Serbia., 124-124.
https://hdl.handle.net/21.15107/rcub_cherry_5749

Senćanski M, Prodanović R, Ristić P, Balaž AM, Stanišić MD, Todorović T. Modelling of catalytic activity and enzyme-MOF interactions using combined in silico approach. in Twenty-Second Annual Conference YUCOMAT 2021, Herceg Novi, Montenegro, August 30 - September 3, 2021. 2021;:124-124.
https://hdl.handle.net/21.15107/rcub_cherry_5749 .

Senćanski, Milan, Prodanović, Radivoje, Ristić, Predrag, Balaž, Ana Marija, Stanišić, Marija D., Todorović, Tamara, "Modelling of catalytic activity and enzyme-MOF interactions using combined in silico approach" in Twenty-Second Annual Conference YUCOMAT 2021, Herceg Novi, Montenegro, August 30 - September 3, 2021 (2021):124-124,
https://hdl.handle.net/21.15107/rcub_cherry_5749 .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Pelliccia, Sveva
AU  - Jovanović, Vesna B.
AU  - Kojić, Milan O.
AU  - Senćanski, Milan
AU  - La Regina, Giuseppe
AU  - Silvestri, Romano
AU  - Muller, Christian D.
AU  - Todorović, Tamara
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/320
AB  - Triapine, the most studied α-N-heterocyclic thiosemicarbazone, revealed potent activity against advanced leukemia, but was ineffective against a variety of solid tumors. Moreover, methemoglobinemia, which is a side effect of triapine administration, may limits all clinical application. To enhance anticancer activity and reduce side effects, we applied an isosteric replacement of sulfur to selenium atom was performed by synthesis and characterization of selenium triapine analog, 3-aminopyridine-2-carboxaldehyde selenosemicarbazone (selenotriapine). Compared to triapine, selenotriapine revealed superior pro-apoptotic activity with activation of intrinsic apoptotic pathway in both human monocytic leukemia (THP-1) and mammary adenocarcinoma (MCF-7) cell lines. For MCF-7 2-D cultures, selenotriapine induced notable increase in mitochondrial superoxide radical generation and dissipation of mitochondrial transmembrane potential. A significant delay in growth of MCF-7 spheroids (3-D culture) was accompanied by phenotypic stem cell reprogramming (Oct-4 expression). Additionally, selenotriapine demonstrated a very low toxicity profile as compared to triapine, confirmed over alleviated extent of methemoglobin formation and higher IC50 value in brine shrimp cytotoxicity assay. © 2017 King Saud University.
T2  - Arabian Journal of Chemistry
T1  - Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors
DO  - 10.1016/j.arabjc.2017.11.017
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Pelliccia, Sveva and Jovanović, Vesna B. and Kojić, Milan O. and Senćanski, Milan and La Regina, Giuseppe and Silvestri, Romano and Muller, Christian D. and Todorović, Tamara",
year = "2020",
abstract = "Triapine, the most studied α-N-heterocyclic thiosemicarbazone, revealed potent activity against advanced leukemia, but was ineffective against a variety of solid tumors. Moreover, methemoglobinemia, which is a side effect of triapine administration, may limits all clinical application. To enhance anticancer activity and reduce side effects, we applied an isosteric replacement of sulfur to selenium atom was performed by synthesis and characterization of selenium triapine analog, 3-aminopyridine-2-carboxaldehyde selenosemicarbazone (selenotriapine). Compared to triapine, selenotriapine revealed superior pro-apoptotic activity with activation of intrinsic apoptotic pathway in both human monocytic leukemia (THP-1) and mammary adenocarcinoma (MCF-7) cell lines. For MCF-7 2-D cultures, selenotriapine induced notable increase in mitochondrial superoxide radical generation and dissipation of mitochondrial transmembrane potential. A significant delay in growth of MCF-7 spheroids (3-D culture) was accompanied by phenotypic stem cell reprogramming (Oct-4 expression). Additionally, selenotriapine demonstrated a very low toxicity profile as compared to triapine, confirmed over alleviated extent of methemoglobin formation and higher IC50 value in brine shrimp cytotoxicity assay. © 2017 King Saud University.",
journal = "Arabian Journal of Chemistry",
title = "Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors",
doi = "10.1016/j.arabjc.2017.11.017"
}

Filipović, N. R., Bjelogrlić, S. K., Pelliccia, S., Jovanović, V. B., Kojić, M. O., Senćanski, M., La Regina, G., Silvestri, R., Muller, C. D.,& Todorović, T.. (2020). Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors. in Arabian Journal of Chemistry.
https://doi.org/10.1016/j.arabjc.2017.11.017

Filipović NR, Bjelogrlić SK, Pelliccia S, Jovanović VB, Kojić MO, Senćanski M, La Regina G, Silvestri R, Muller CD, Todorović T. Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors. in Arabian Journal of Chemistry. 2020;.
doi:10.1016/j.arabjc.2017.11.017 .

Filipović, Nenad R., Bjelogrlić, Snežana K., Pelliccia, Sveva, Jovanović, Vesna B., Kojić, Milan O., Senćanski, Milan, La Regina, Giuseppe, Silvestri, Romano, Muller, Christian D., Todorović, Tamara, "Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors" in Arabian Journal of Chemistry (2020),
https://doi.org/10.1016/j.arabjc.2017.11.017 . .

TY  - JOUR
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Kojić, Milan O.
AU  - Senćanski, Milan
AU  - Nikolić, Milan
AU  - Višnjevac, Aleksandar
AU  - Araškov, Jovana
AU  - Miljković, Marija
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3318
AB  - Anticancer activity of Pd complexes 1–5 with bidentate N-heteroaromatic hydrazone ligands was investigated on human acute monocytic leukemia (THP-1; cells in a suspension) and human mammary adenocarcinoma (MCF-7; two-dimensional layer and three-dimensional spheroid tumor model) cell lines. For the Pd(II) complexes with condensation products of ethyl hydrazainoacetate and quinoline-8-carboxaldehyde (complex 1) and 2-formylpyridine (complex 3), for which apoptosis was determined as a mechanism of anticancer activity, further investigation revealed that they arrest the cell cycle in G0/G1 phase, induce generation of reactive oxygen species and inhibit Topoisomerase I in vitro. In silico studies corroborate experimental findings that these complexes show topoisomerase inhibition activity in the micromolar range and indicate binding to a DNA's minor groove as another potential target. Based on the results obtained by circular dichroism and fluorescence spectroscopy measurements, the most active complexes are suitable to be delivered to a blood stream via human serum albumin.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification
VL  - 199
DO  - 10.1016/j.jinorgbio.2019.110758
ER  - 

@article{
author = "Bjelogrlić, Snežana K. and Todorović, Tamara and Kojić, Milan O. and Senćanski, Milan and Nikolić, Milan and Višnjevac, Aleksandar and Araškov, Jovana and Miljković, Marija and Muller, Christian D. and Filipović, Nenad R.",
year = "2019",
abstract = "Anticancer activity of Pd complexes 1–5 with bidentate N-heteroaromatic hydrazone ligands was investigated on human acute monocytic leukemia (THP-1; cells in a suspension) and human mammary adenocarcinoma (MCF-7; two-dimensional layer and three-dimensional spheroid tumor model) cell lines. For the Pd(II) complexes with condensation products of ethyl hydrazainoacetate and quinoline-8-carboxaldehyde (complex 1) and 2-formylpyridine (complex 3), for which apoptosis was determined as a mechanism of anticancer activity, further investigation revealed that they arrest the cell cycle in G0/G1 phase, induce generation of reactive oxygen species and inhibit Topoisomerase I in vitro. In silico studies corroborate experimental findings that these complexes show topoisomerase inhibition activity in the micromolar range and indicate binding to a DNA's minor groove as another potential target. Based on the results obtained by circular dichroism and fluorescence spectroscopy measurements, the most active complexes are suitable to be delivered to a blood stream via human serum albumin.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification",
volume = "199",
doi = "10.1016/j.jinorgbio.2019.110758"
}

Bjelogrlić, S. K., Todorović, T., Kojić, M. O., Senćanski, M., Nikolić, M., Višnjevac, A., Araškov, J., Miljković, M., Muller, C. D.,& Filipović, N. R.. (2019). Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification. in Journal of Inorganic Biochemistry
Elsevier., 199.
https://doi.org/10.1016/j.jinorgbio.2019.110758

Bjelogrlić SK, Todorović T, Kojić MO, Senćanski M, Nikolić M, Višnjevac A, Araškov J, Miljković M, Muller CD, Filipović NR. Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification. in Journal of Inorganic Biochemistry. 2019;199.
doi:10.1016/j.jinorgbio.2019.110758 .

Bjelogrlić, Snežana K., Todorović, Tamara, Kojić, Milan O., Senćanski, Milan, Nikolić, Milan, Višnjevac, Aleksandar, Araškov, Jovana, Miljković, Marija, Muller, Christian D., Filipović, Nenad R., "Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification" in Journal of Inorganic Biochemistry, 199 (2019),
https://doi.org/10.1016/j.jinorgbio.2019.110758 . .

TY  - DATA
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Kojić, Milan O.
AU  - Senćanski, Milan
AU  - Nikolić, Milan
AU  - Višnjevac, Aleksandar
AU  - Araškov, Jovana
AU  - Miljković, Marija
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3319
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Supplementary data for the article: Bjelogrlić, S. K.; Todorović, T. R.; Kojić, M.; Senćanski, M.; Nikolić, M.; Višnjevac, A.; Araškov, J.; Miljković, M.; Muller, C. D.; Filipović, N. R. Pd(II) Complexes with N-Heteroaromatic Hydrazone Ligands: Anticancer Activity, in Silico and Experimental Target Identification. Journal of Inorganic Biochemistry 2019, 199. https://doi.org/10.1016/j.jinorgbio.2019.110758
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3319
ER  - 

@misc{
author = "Bjelogrlić, Snežana K. and Todorović, Tamara and Kojić, Milan O. and Senćanski, Milan and Nikolić, Milan and Višnjevac, Aleksandar and Araškov, Jovana and Miljković, Marija and Muller, Christian D. and Filipović, Nenad R.",
year = "2019",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Supplementary data for the article: Bjelogrlić, S. K.; Todorović, T. R.; Kojić, M.; Senćanski, M.; Nikolić, M.; Višnjevac, A.; Araškov, J.; Miljković, M.; Muller, C. D.; Filipović, N. R. Pd(II) Complexes with N-Heteroaromatic Hydrazone Ligands: Anticancer Activity, in Silico and Experimental Target Identification. Journal of Inorganic Biochemistry 2019, 199. https://doi.org/10.1016/j.jinorgbio.2019.110758",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3319"
}

Bjelogrlić, S. K., Todorović, T., Kojić, M. O., Senćanski, M., Nikolić, M., Višnjevac, A., Araškov, J., Miljković, M., Muller, C. D.,& Filipović, N. R.. (2019). Supplementary data for the article: Bjelogrlić, S. K.; Todorović, T. R.; Kojić, M.; Senćanski, M.; Nikolić, M.; Višnjevac, A.; Araškov, J.; Miljković, M.; Muller, C. D.; Filipović, N. R. Pd(II) Complexes with N-Heteroaromatic Hydrazone Ligands: Anticancer Activity, in Silico and Experimental Target Identification. Journal of Inorganic Biochemistry 2019, 199. https://doi.org/10.1016/j.jinorgbio.2019.110758. in Journal of Inorganic Biochemistry
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_3319

Bjelogrlić SK, Todorović T, Kojić MO, Senćanski M, Nikolić M, Višnjevac A, Araškov J, Miljković M, Muller CD, Filipović NR. Supplementary data for the article: Bjelogrlić, S. K.; Todorović, T. R.; Kojić, M.; Senćanski, M.; Nikolić, M.; Višnjevac, A.; Araškov, J.; Miljković, M.; Muller, C. D.; Filipović, N. R. Pd(II) Complexes with N-Heteroaromatic Hydrazone Ligands: Anticancer Activity, in Silico and Experimental Target Identification. Journal of Inorganic Biochemistry 2019, 199. https://doi.org/10.1016/j.jinorgbio.2019.110758. in Journal of Inorganic Biochemistry. 2019;.
https://hdl.handle.net/21.15107/rcub_cherry_3319 .

Bjelogrlić, Snežana K., Todorović, Tamara, Kojić, Milan O., Senćanski, Milan, Nikolić, Milan, Višnjevac, Aleksandar, Araškov, Jovana, Miljković, Marija, Muller, Christian D., Filipović, Nenad R., "Supplementary data for the article: Bjelogrlić, S. K.; Todorović, T. R.; Kojić, M.; Senćanski, M.; Nikolić, M.; Višnjevac, A.; Araškov, J.; Miljković, M.; Muller, C. D.; Filipović, N. R. Pd(II) Complexes with N-Heteroaromatic Hydrazone Ligands: Anticancer Activity, in Silico and Experimental Target Identification. Journal of Inorganic Biochemistry 2019, 199. https://doi.org/10.1016/j.jinorgbio.2019.110758" in Journal of Inorganic Biochemistry (2019),
https://hdl.handle.net/21.15107/rcub_cherry_3319 .

TY  - CONF
AU  - Filipović, Nenad
AU  - Bjelogrlić, Snežana
AU  - Kojić, Milan
AU  - Senćanski, Milan
AU  - Nikolić, Milan
AU  - Višnjevac, Aleksandar
AU  - Araškov, Jovana
AU  - Marija, Miljković
AU  - Muller, Christian
AU  - Todorović, Tamara
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6010
AB  - Anticancer activity of five Pd(II) pyridine-based hydrazone complexes (1‒5, Figure 1) was investigated against a human monocytic leukemia THP-1 (2D) cell line and a breast cancer MCF-7 (2D and 3D) cell line. For complexes with apoptosis as a mechanism of anticancer activity, further investigation revealed that they arrest the cell cycle in G0/G1 phase, induce ROS and in vitro inhibit topoisomerase I in a low micromolar range. In silico studies corroborate experimental findings and indicate binding to DNA's minor groove. The most active compounds are suitable to be transported via blood stream by human serum albumin, as results of CD and fluorescence spectroscopy showed.
PB  - Università “Magna Græcia” di Catanzaro, Italy
C3  - MuTaLig COST ACTION CA15135, Annual meeting,Valletta, Malta, October 18-19, 2018
T1  - Pd(II) complexes with N-heteroaromatic hydrazones as dual targeting DNA/Topoisomerase 1 agents: experimental and in silico study
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6010
ER  - 

@conference{
author = "Filipović, Nenad and Bjelogrlić, Snežana and Kojić, Milan and Senćanski, Milan and Nikolić, Milan and Višnjevac, Aleksandar and Araškov, Jovana and Marija, Miljković and Muller, Christian and Todorović, Tamara",
year = "2018",
abstract = "Anticancer activity of five Pd(II) pyridine-based hydrazone complexes (1‒5, Figure 1) was investigated against a human monocytic leukemia THP-1 (2D) cell line and a breast cancer MCF-7 (2D and 3D) cell line. For complexes with apoptosis as a mechanism of anticancer activity, further investigation revealed that they arrest the cell cycle in G0/G1 phase, induce ROS and in vitro inhibit topoisomerase I in a low micromolar range. In silico studies corroborate experimental findings and indicate binding to DNA's minor groove. The most active compounds are suitable to be transported via blood stream by human serum albumin, as results of CD and fluorescence spectroscopy showed.",
publisher = "Università “Magna Græcia” di Catanzaro, Italy",
journal = "MuTaLig COST ACTION CA15135, Annual meeting,Valletta, Malta, October 18-19, 2018",
title = "Pd(II) complexes with N-heteroaromatic hydrazones as dual targeting DNA/Topoisomerase 1 agents: experimental and in silico study",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6010"
}

Filipović, N., Bjelogrlić, S., Kojić, M., Senćanski, M., Nikolić, M., Višnjevac, A., Araškov, J., Marija, M., Muller, C.,& Todorović, T.. (2018). Pd(II) complexes with N-heteroaromatic hydrazones as dual targeting DNA/Topoisomerase 1 agents: experimental and in silico study. in MuTaLig COST ACTION CA15135, Annual meeting,Valletta, Malta, October 18-19, 2018
Università “Magna Græcia” di Catanzaro, Italy..
https://hdl.handle.net/21.15107/rcub_cherry_6010

Filipović N, Bjelogrlić S, Kojić M, Senćanski M, Nikolić M, Višnjevac A, Araškov J, Marija M, Muller C, Todorović T. Pd(II) complexes with N-heteroaromatic hydrazones as dual targeting DNA/Topoisomerase 1 agents: experimental and in silico study. in MuTaLig COST ACTION CA15135, Annual meeting,Valletta, Malta, October 18-19, 2018. 2018;.
https://hdl.handle.net/21.15107/rcub_cherry_6010 .

Filipović, Nenad, Bjelogrlić, Snežana, Kojić, Milan, Senćanski, Milan, Nikolić, Milan, Višnjevac, Aleksandar, Araškov, Jovana, Marija, Miljković, Muller, Christian, Todorović, Tamara, "Pd(II) complexes with N-heteroaromatic hydrazones as dual targeting DNA/Topoisomerase 1 agents: experimental and in silico study" in MuTaLig COST ACTION CA15135, Annual meeting,Valletta, Malta, October 18-19, 2018 (2018),
https://hdl.handle.net/21.15107/rcub_cherry_6010 .

TY  - DATA
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Pelliccia, Sveva
AU  - Jovanović, Vesna B.
AU  - Kojić, Milan O.
AU  - Senćanski, Milan
AU  - La Regina, Giuseppe
AU  - Silvestri, Romano
AU  - Muller, Christian D.
AU  - Todorović, Tamara
PY  - 2017
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3060
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Supplementary data for article:          Filipović, N. R.; Bjelogrlić, S. K.; Pelliccia, S.; Jovanović, V. B.; Kojić, M.; Senćanski, M.; La Regina, G.; Silvestri, R.; Muller, C. D.; Todorović, T. R. Selenotriapine - An Isostere of the Most Studied Thiosemicarbazone with Pronounced pro-Apoptotic Activity, Low Toxicity and Ability to Challenge Phenotype Reprogramming of 3-D Mammary Adenocarcinoma Tumors, 2017. https://doi.org/10.1016/j.arabjc.2017.11.017
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3060
ER  - 

@misc{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Pelliccia, Sveva and Jovanović, Vesna B. and Kojić, Milan O. and Senćanski, Milan and La Regina, Giuseppe and Silvestri, Romano and Muller, Christian D. and Todorović, Tamara",
year = "2017",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Supplementary data for article:          Filipović, N. R.; Bjelogrlić, S. K.; Pelliccia, S.; Jovanović, V. B.; Kojić, M.; Senćanski, M.; La Regina, G.; Silvestri, R.; Muller, C. D.; Todorović, T. R. Selenotriapine - An Isostere of the Most Studied Thiosemicarbazone with Pronounced pro-Apoptotic Activity, Low Toxicity and Ability to Challenge Phenotype Reprogramming of 3-D Mammary Adenocarcinoma Tumors, 2017. https://doi.org/10.1016/j.arabjc.2017.11.017",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3060"
}

Filipović, N. R., Bjelogrlić, S. K., Pelliccia, S., Jovanović, V. B., Kojić, M. O., Senćanski, M., La Regina, G., Silvestri, R., Muller, C. D.,& Todorović, T.. (2017). Supplementary data for article:          Filipović, N. R.; Bjelogrlić, S. K.; Pelliccia, S.; Jovanović, V. B.; Kojić, M.; Senćanski, M.; La Regina, G.; Silvestri, R.; Muller, C. D.; Todorović, T. R. Selenotriapine - An Isostere of the Most Studied Thiosemicarbazone with Pronounced pro-Apoptotic Activity, Low Toxicity and Ability to Challenge Phenotype Reprogramming of 3-D Mammary Adenocarcinoma Tumors, 2017. https://doi.org/10.1016/j.arabjc.2017.11.017. in Arabian Journal of Chemistry
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_3060

Filipović NR, Bjelogrlić SK, Pelliccia S, Jovanović VB, Kojić MO, Senćanski M, La Regina G, Silvestri R, Muller CD, Todorović T. Supplementary data for article:          Filipović, N. R.; Bjelogrlić, S. K.; Pelliccia, S.; Jovanović, V. B.; Kojić, M.; Senćanski, M.; La Regina, G.; Silvestri, R.; Muller, C. D.; Todorović, T. R. Selenotriapine - An Isostere of the Most Studied Thiosemicarbazone with Pronounced pro-Apoptotic Activity, Low Toxicity and Ability to Challenge Phenotype Reprogramming of 3-D Mammary Adenocarcinoma Tumors, 2017. https://doi.org/10.1016/j.arabjc.2017.11.017. in Arabian Journal of Chemistry. 2017;.
https://hdl.handle.net/21.15107/rcub_cherry_3060 .

Filipović, Nenad R., Bjelogrlić, Snežana K., Pelliccia, Sveva, Jovanović, Vesna B., Kojić, Milan O., Senćanski, Milan, La Regina, Giuseppe, Silvestri, Romano, Muller, Christian D., Todorović, Tamara, "Supplementary data for article:          Filipović, N. R.; Bjelogrlić, S. K.; Pelliccia, S.; Jovanović, V. B.; Kojić, M.; Senćanski, M.; La Regina, G.; Silvestri, R.; Muller, C. D.; Todorović, T. R. Selenotriapine - An Isostere of the Most Studied Thiosemicarbazone with Pronounced pro-Apoptotic Activity, Low Toxicity and Ability to Challenge Phenotype Reprogramming of 3-D Mammary Adenocarcinoma Tumors, 2017. https://doi.org/10.1016/j.arabjc.2017.11.017" in Arabian Journal of Chemistry (2017),
https://hdl.handle.net/21.15107/rcub_cherry_3060 .

TY  - DATA
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Blagojević, Vladimir A.
AU  - Muller, Christian D.
AU  - Marinković, Aleksandar
AU  - Vujčić, Miroslava
AU  - Janović, Barbara
AU  - Malešević, Aleksandar
AU  - Begović, Nebojša
AU  - Senćanski, Milan
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3578
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Todorović, T. R.; Blagojević, V. A.; Muller, C. D.; Marinković, A.; Vujčić, M.; Janović, B.; Malešević, A. S.; Begović, N.; et al. Ni(II) Complex with Bishydrazone Ligand: Synthesis, Characterization, DNA Binding Studies and pro-Apoptotic and pro-Differentiation Induction in Human Cancerous Cell Lines. RSC Adv. 2016, 6 (110), 108726–108740. https://doi.org/10.1039/c6ra24604d
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3578
ER  - 

@misc{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Todorović, Tamara and Blagojević, Vladimir A. and Muller, Christian D. and Marinković, Aleksandar and Vujčić, Miroslava and Janović, Barbara and Malešević, Aleksandar and Begović, Nebojša and Senćanski, Milan and Minić, Dragica M.",
year = "2016",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Todorović, T. R.; Blagojević, V. A.; Muller, C. D.; Marinković, A.; Vujčić, M.; Janović, B.; Malešević, A. S.; Begović, N.; et al. Ni(II) Complex with Bishydrazone Ligand: Synthesis, Characterization, DNA Binding Studies and pro-Apoptotic and pro-Differentiation Induction in Human Cancerous Cell Lines. RSC Adv. 2016, 6 (110), 108726–108740. https://doi.org/10.1039/c6ra24604d",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3578"
}

Filipović, N. R., Bjelogrlić, S. K., Todorović, T., Blagojević, V. A., Muller, C. D., Marinković, A., Vujčić, M., Janović, B., Malešević, A., Begović, N., Senćanski, M.,& Minić, D. M.. (2016). Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Todorović, T. R.; Blagojević, V. A.; Muller, C. D.; Marinković, A.; Vujčić, M.; Janović, B.; Malešević, A. S.; Begović, N.; et al. Ni(II) Complex with Bishydrazone Ligand: Synthesis, Characterization, DNA Binding Studies and pro-Apoptotic and pro-Differentiation Induction in Human Cancerous Cell Lines. RSC Adv. 2016, 6 (110), 108726–108740. https://doi.org/10.1039/c6ra24604d. in RSC Advances
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3578

Filipović NR, Bjelogrlić SK, Todorović T, Blagojević VA, Muller CD, Marinković A, Vujčić M, Janović B, Malešević A, Begović N, Senćanski M, Minić DM. Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Todorović, T. R.; Blagojević, V. A.; Muller, C. D.; Marinković, A.; Vujčić, M.; Janović, B.; Malešević, A. S.; Begović, N.; et al. Ni(II) Complex with Bishydrazone Ligand: Synthesis, Characterization, DNA Binding Studies and pro-Apoptotic and pro-Differentiation Induction in Human Cancerous Cell Lines. RSC Adv. 2016, 6 (110), 108726–108740. https://doi.org/10.1039/c6ra24604d. in RSC Advances. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3578 .

Filipović, Nenad R., Bjelogrlić, Snežana K., Todorović, Tamara, Blagojević, Vladimir A., Muller, Christian D., Marinković, Aleksandar, Vujčić, Miroslava, Janović, Barbara, Malešević, Aleksandar, Begović, Nebojša, Senćanski, Milan, Minić, Dragica M., "Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Todorović, T. R.; Blagojević, V. A.; Muller, C. D.; Marinković, A.; Vujčić, M.; Janović, B.; Malešević, A. S.; Begović, N.; et al. Ni(II) Complex with Bishydrazone Ligand: Synthesis, Characterization, DNA Binding Studies and pro-Apoptotic and pro-Differentiation Induction in Human Cancerous Cell Lines. RSC Adv. 2016, 6 (110), 108726–108740. https://doi.org/10.1039/c6ra24604d" in RSC Advances (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3578 .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Portalone, Gustavo
AU  - Pelliccia, Sveva
AU  - Silvestri, Romano
AU  - Klisurić, Olivera
AU  - Senćanski, Milan
AU  - Stanković, Dalibor
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2293
AB  - 8-Quinolinecarboxaldehyde selenosemicarbazone (H8qasesc) and its octahedral Co(III) complex were characterized by single crystal X-ray diffraction analysis, spectroscopy methods and cyclic voltammetry. The antineoplastic activity of the ligand and the complex has been assessed on an acute monocytic leukemia cell line (THP-1) and AsPC-1 cancer stem cell (CSC) line derived from a patient suffering from pancreatic adenocarcinoma, with cisplatin (CDDP) as a reference compound. Evaluation involved determination of pro-apoptotic activity, changes in cell cycle distribution, the role of caspase activation in the process of cell death, and the ability of the investigated compounds to challenge reprogramming of the CSC phenotype. Compared to CDDP, treatment with H8qasesc induced a higher apoptotic response in both investigated cell lines. Apoptosis triggered by H8qasesc was highly caspase-dependent but did not include activation of either caspase-8 or -9. According to cell cycle changes H8qasesc delayed the transition of cells during DNA replication but in a manner different from that of CDDP. The ligand did not show nuclease activity on pUC19 plasmid, while docking studies disclosed that it does not have intercalating properties. Treatment of THP-1 cells with the Co(III) complex resulted in a strong toxic response, whereas cell death in the treated AsPC-1 line was not achieved for 24 h. Additionally, the complex concentration-dependently digested plasmid DNA which might be the cause of its cytotoxic activity. Finally, H8qasesc successfully initiated reprogramming of the CSC phenotype in the AsPC-1 cell line.
PB  - Royal Soc Chemistry, Cambridge
T2  - MedChemComm
T1  - Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines
VL  - 7
IS  - 8
SP  - 1604
EP  - 1616
DO  - 10.1039/c6md00199h
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Portalone, Gustavo and Pelliccia, Sveva and Silvestri, Romano and Klisurić, Olivera and Senćanski, Milan and Stanković, Dalibor and Todorović, Tamara and Muller, Christian D.",
year = "2016",
abstract = "8-Quinolinecarboxaldehyde selenosemicarbazone (H8qasesc) and its octahedral Co(III) complex were characterized by single crystal X-ray diffraction analysis, spectroscopy methods and cyclic voltammetry. The antineoplastic activity of the ligand and the complex has been assessed on an acute monocytic leukemia cell line (THP-1) and AsPC-1 cancer stem cell (CSC) line derived from a patient suffering from pancreatic adenocarcinoma, with cisplatin (CDDP) as a reference compound. Evaluation involved determination of pro-apoptotic activity, changes in cell cycle distribution, the role of caspase activation in the process of cell death, and the ability of the investigated compounds to challenge reprogramming of the CSC phenotype. Compared to CDDP, treatment with H8qasesc induced a higher apoptotic response in both investigated cell lines. Apoptosis triggered by H8qasesc was highly caspase-dependent but did not include activation of either caspase-8 or -9. According to cell cycle changes H8qasesc delayed the transition of cells during DNA replication but in a manner different from that of CDDP. The ligand did not show nuclease activity on pUC19 plasmid, while docking studies disclosed that it does not have intercalating properties. Treatment of THP-1 cells with the Co(III) complex resulted in a strong toxic response, whereas cell death in the treated AsPC-1 line was not achieved for 24 h. Additionally, the complex concentration-dependently digested plasmid DNA which might be the cause of its cytotoxic activity. Finally, H8qasesc successfully initiated reprogramming of the CSC phenotype in the AsPC-1 cell line.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "MedChemComm",
title = "Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines",
volume = "7",
number = "8",
pages = "1604-1616",
doi = "10.1039/c6md00199h"
}

Filipović, N. R., Bjelogrlić, S. K., Portalone, G., Pelliccia, S., Silvestri, R., Klisurić, O., Senćanski, M., Stanković, D., Todorović, T.,& Muller, C. D.. (2016). Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines. in MedChemComm
Royal Soc Chemistry, Cambridge., 7(8), 1604-1616.
https://doi.org/10.1039/c6md00199h

Filipović NR, Bjelogrlić SK, Portalone G, Pelliccia S, Silvestri R, Klisurić O, Senćanski M, Stanković D, Todorović T, Muller CD. Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines. in MedChemComm. 2016;7(8):1604-1616.
doi:10.1039/c6md00199h .

Filipović, Nenad R., Bjelogrlić, Snežana K., Portalone, Gustavo, Pelliccia, Sveva, Silvestri, Romano, Klisurić, Olivera, Senćanski, Milan, Stanković, Dalibor, Todorović, Tamara, Muller, Christian D., "Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines" in MedChemComm, 7, no. 8 (2016):1604-1616,
https://doi.org/10.1039/c6md00199h . .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Blagojević, Vladimir A.
AU  - Muller, Christian D.
AU  - Marinković, Aleksandar
AU  - Vujčić, Miroslava
AU  - Janović, Barbara
AU  - Malešević, Aleksandar
AU  - Begović, Nebojša
AU  - Senćanski, Milan
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2362
AB  - A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl) bis(ethan-1-yl-1-ylidene)) bis(hydrazin-1-yl-2-ylidene)) bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 +/- 3 mu M), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines
VL  - 6
IS  - 110
SP  - 108726
EP  - 108740
DO  - 10.1039/c6ra24604d
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Todorović, Tamara and Blagojević, Vladimir A. and Muller, Christian D. and Marinković, Aleksandar and Vujčić, Miroslava and Janović, Barbara and Malešević, Aleksandar and Begović, Nebojša and Senćanski, Milan and Minić, Dragica M.",
year = "2016",
abstract = "A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl) bis(ethan-1-yl-1-ylidene)) bis(hydrazin-1-yl-2-ylidene)) bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 +/- 3 mu M), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines",
volume = "6",
number = "110",
pages = "108726-108740",
doi = "10.1039/c6ra24604d"
}

Filipović, N. R., Bjelogrlić, S. K., Todorović, T., Blagojević, V. A., Muller, C. D., Marinković, A., Vujčić, M., Janović, B., Malešević, A., Begović, N., Senćanski, M.,& Minić, D. M.. (2016). Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances
Royal Soc Chemistry, Cambridge., 6(110), 108726-108740.
https://doi.org/10.1039/c6ra24604d

Filipović NR, Bjelogrlić SK, Todorović T, Blagojević VA, Muller CD, Marinković A, Vujčić M, Janović B, Malešević A, Begović N, Senćanski M, Minić DM. Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances. 2016;6(110):108726-108740.
doi:10.1039/c6ra24604d .

Filipović, Nenad R., Bjelogrlić, Snežana K., Todorović, Tamara, Blagojević, Vladimir A., Muller, Christian D., Marinković, Aleksandar, Vujčić, Miroslava, Janović, Barbara, Malešević, Aleksandar, Begović, Nebojša, Senćanski, Milan, Minić, Dragica M., "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines" in RSC Advances, 6, no. 110 (2016):108726-108740,
https://doi.org/10.1039/c6ra24604d . .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Portalone, Gustavo
AU  - Pelliccia, Sveva
AU  - Silvestri, Romano
AU  - Klisurić, Olivera
AU  - Senćanski, Milan
AU  - Stanković, Dalibor
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3598
AB  - 8-Quinolinecarboxaldehyde selenosemicarbazone (H8qasesc) and its octahedral Co(III) complex were characterized by single crystal X-ray diffraction analysis, spectroscopy methods and cyclic voltammetry. The antineoplastic activity of the ligand and the complex has been assessed on an acute monocytic leukemia cell line (THP-1) and AsPC-1 cancer stem cell (CSC) line derived from a patient suffering from pancreatic adenocarcinoma, with cisplatin (CDDP) as a reference compound. Evaluation involved determination of pro-apoptotic activity, changes in cell cycle distribution, the role of caspase activation in the process of cell death, and the ability of the investigated compounds to challenge reprogramming of the CSC phenotype. Compared to CDDP, treatment with H8qasesc induced a higher apoptotic response in both investigated cell lines. Apoptosis triggered by H8qasesc was highly caspase-dependent but did not include activation of either caspase-8 or -9. According to cell cycle changes H8qasesc delayed the transition of cells during DNA replication but in a manner different from that of CDDP. The ligand did not show nuclease activity on pUC19 plasmid, while docking studies disclosed that it does not have intercalating properties. Treatment of THP-1 cells with the Co(III) complex resulted in a strong toxic response, whereas cell death in the treated AsPC-1 line was not achieved for 24 h. Additionally, the complex concentration-dependently digested plasmid DNA which might be the cause of its cytotoxic activity. Finally, H8qasesc successfully initiated reprogramming of the CSC phenotype in the AsPC-1 cell line.
PB  - Royal Soc Chemistry, Cambridge
T2  - MedChemComm
T1  - Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines
VL  - 7
IS  - 8
SP  - 1604
EP  - 1616
DO  - 10.1039/c6md00199h
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Portalone, Gustavo and Pelliccia, Sveva and Silvestri, Romano and Klisurić, Olivera and Senćanski, Milan and Stanković, Dalibor and Todorović, Tamara and Muller, Christian D.",
year = "2016",
abstract = "8-Quinolinecarboxaldehyde selenosemicarbazone (H8qasesc) and its octahedral Co(III) complex were characterized by single crystal X-ray diffraction analysis, spectroscopy methods and cyclic voltammetry. The antineoplastic activity of the ligand and the complex has been assessed on an acute monocytic leukemia cell line (THP-1) and AsPC-1 cancer stem cell (CSC) line derived from a patient suffering from pancreatic adenocarcinoma, with cisplatin (CDDP) as a reference compound. Evaluation involved determination of pro-apoptotic activity, changes in cell cycle distribution, the role of caspase activation in the process of cell death, and the ability of the investigated compounds to challenge reprogramming of the CSC phenotype. Compared to CDDP, treatment with H8qasesc induced a higher apoptotic response in both investigated cell lines. Apoptosis triggered by H8qasesc was highly caspase-dependent but did not include activation of either caspase-8 or -9. According to cell cycle changes H8qasesc delayed the transition of cells during DNA replication but in a manner different from that of CDDP. The ligand did not show nuclease activity on pUC19 plasmid, while docking studies disclosed that it does not have intercalating properties. Treatment of THP-1 cells with the Co(III) complex resulted in a strong toxic response, whereas cell death in the treated AsPC-1 line was not achieved for 24 h. Additionally, the complex concentration-dependently digested plasmid DNA which might be the cause of its cytotoxic activity. Finally, H8qasesc successfully initiated reprogramming of the CSC phenotype in the AsPC-1 cell line.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "MedChemComm",
title = "Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines",
volume = "7",
number = "8",
pages = "1604-1616",
doi = "10.1039/c6md00199h"
}

Filipović, N. R., Bjelogrlić, S. K., Portalone, G., Pelliccia, S., Silvestri, R., Klisurić, O., Senćanski, M., Stanković, D., Todorović, T.,& Muller, C. D.. (2016). Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines. in MedChemComm
Royal Soc Chemistry, Cambridge., 7(8), 1604-1616.
https://doi.org/10.1039/c6md00199h

Filipović NR, Bjelogrlić SK, Portalone G, Pelliccia S, Silvestri R, Klisurić O, Senćanski M, Stanković D, Todorović T, Muller CD. Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines. in MedChemComm. 2016;7(8):1604-1616.
doi:10.1039/c6md00199h .

Filipović, Nenad R., Bjelogrlić, Snežana K., Portalone, Gustavo, Pelliccia, Sveva, Silvestri, Romano, Klisurić, Olivera, Senćanski, Milan, Stanković, Dalibor, Todorović, Tamara, Muller, Christian D., "Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(III) complex in human cancer cell lines" in MedChemComm, 7, no. 8 (2016):1604-1616,
https://doi.org/10.1039/c6md00199h . .

TY  - DATA
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Portalone, Gustavo
AU  - Pelliccia, Sveva
AU  - Silvestri, Romano
AU  - Klisurić, Olivera
AU  - Senćanski, Milan
AU  - Stanković, Dalibor
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3599
PB  - Royal Soc Chemistry, Cambridge
T2  - MedChemComm
T1  - Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Portalone, G.; Pelliccia, S.; Silvestri, R.; Klisurić, O.; Senćanski, M.; Stanković, D.; Todorović, T. R.; Muller, C. D. Pro-Apoptotic and pro-Differentiation Induction by 8-Quinolinecarboxaldehyde Selenosemicarbazone and Its Co(III) Complex in Human Cancer Cell Lines. MedChemComm 2016, 7 (8), 1604–1616. https://doi.org/10.1039/c6md00199h
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3599
ER  - 

@misc{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Portalone, Gustavo and Pelliccia, Sveva and Silvestri, Romano and Klisurić, Olivera and Senćanski, Milan and Stanković, Dalibor and Todorović, Tamara and Muller, Christian D.",
year = "2016",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "MedChemComm",
title = "Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Portalone, G.; Pelliccia, S.; Silvestri, R.; Klisurić, O.; Senćanski, M.; Stanković, D.; Todorović, T. R.; Muller, C. D. Pro-Apoptotic and pro-Differentiation Induction by 8-Quinolinecarboxaldehyde Selenosemicarbazone and Its Co(III) Complex in Human Cancer Cell Lines. MedChemComm 2016, 7 (8), 1604–1616. https://doi.org/10.1039/c6md00199h",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3599"
}

Filipović, N. R., Bjelogrlić, S. K., Portalone, G., Pelliccia, S., Silvestri, R., Klisurić, O., Senćanski, M., Stanković, D., Todorović, T.,& Muller, C. D.. (2016). Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Portalone, G.; Pelliccia, S.; Silvestri, R.; Klisurić, O.; Senćanski, M.; Stanković, D.; Todorović, T. R.; Muller, C. D. Pro-Apoptotic and pro-Differentiation Induction by 8-Quinolinecarboxaldehyde Selenosemicarbazone and Its Co(III) Complex in Human Cancer Cell Lines. MedChemComm 2016, 7 (8), 1604–1616. https://doi.org/10.1039/c6md00199h. in MedChemComm
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3599

Filipović NR, Bjelogrlić SK, Portalone G, Pelliccia S, Silvestri R, Klisurić O, Senćanski M, Stanković D, Todorović T, Muller CD. Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Portalone, G.; Pelliccia, S.; Silvestri, R.; Klisurić, O.; Senćanski, M.; Stanković, D.; Todorović, T. R.; Muller, C. D. Pro-Apoptotic and pro-Differentiation Induction by 8-Quinolinecarboxaldehyde Selenosemicarbazone and Its Co(III) Complex in Human Cancer Cell Lines. MedChemComm 2016, 7 (8), 1604–1616. https://doi.org/10.1039/c6md00199h. in MedChemComm. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3599 .

Filipović, Nenad R., Bjelogrlić, Snežana K., Portalone, Gustavo, Pelliccia, Sveva, Silvestri, Romano, Klisurić, Olivera, Senćanski, Milan, Stanković, Dalibor, Todorović, Tamara, Muller, Christian D., "Supplementary data for the article: Filipović, N. R.; Bjelogrlić, S.; Portalone, G.; Pelliccia, S.; Silvestri, R.; Klisurić, O.; Senćanski, M.; Stanković, D.; Todorović, T. R.; Muller, C. D. Pro-Apoptotic and pro-Differentiation Induction by 8-Quinolinecarboxaldehyde Selenosemicarbazone and Its Co(III) Complex in Human Cancer Cell Lines. MedChemComm 2016, 7 (8), 1604–1616. https://doi.org/10.1039/c6md00199h" in MedChemComm (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3599 .

TY  - JOUR
AU  - Fabian, Balazs
AU  - Senćanski, Milan
AU  - Cvijetić, Ilija
AU  - Jedlovszky, Pal
AU  - Horvai, George
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3450
AB  - Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Physical Chemistry. C
T1  - Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis
VL  - 120
IS  - 16
SP  - 8578
EP  - 8588
DO  - 10.1021/acs.jpcc.5b10370
ER  - 

@article{
author = "Fabian, Balazs and Senćanski, Milan and Cvijetić, Ilija and Jedlovszky, Pal and Horvai, George",
year = "2016",
abstract = "Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Physical Chemistry. C",
title = "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis",
volume = "120",
number = "16",
pages = "8578-8588",
doi = "10.1021/acs.jpcc.5b10370"
}

Fabian, B., Senćanski, M., Cvijetić, I., Jedlovszky, P.,& Horvai, G.. (2016). Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C
Amer Chemical Soc, Washington., 120(16), 8578-8588.
https://doi.org/10.1021/acs.jpcc.5b10370

Fabian B, Senćanski M, Cvijetić I, Jedlovszky P, Horvai G. Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C. 2016;120(16):8578-8588.
doi:10.1021/acs.jpcc.5b10370 .

Fabian, Balazs, Senćanski, Milan, Cvijetić, Ilija, Jedlovszky, Pal, Horvai, George, "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis" in Journal of Physical Chemistry. C, 120, no. 16 (2016):8578-8588,
https://doi.org/10.1021/acs.jpcc.5b10370 . .

TY  - JOUR
AU  - Fabian, Balazs
AU  - Senćanski, Milan
AU  - Cvijetić, Ilija
AU  - Jedlovszky, Pal
AU  - Horvai, George
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1933
AB  - Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Physical Chemistry. C
T1  - Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis
VL  - 120
IS  - 16
SP  - 8578
EP  - 8588
DO  - 10.1021/acs.jpcc.5b10370
ER  - 

@article{
author = "Fabian, Balazs and Senćanski, Milan and Cvijetić, Ilija and Jedlovszky, Pal and Horvai, George",
year = "2016",
abstract = "Dynamic properties at the liquid-vapor interface of water are investigated at 298 K on the basis of molecular dynamics simulations and intrinsic surface analysis. The mean surface residence time and diffusion coefficient of the molecules as well as H-bond lifetimes are calculated at the liquid surface and compared to the bulk values. It is found that surface molecules have a non-negligible diffusion component along the surface normal, although this component is limited in time to 7-15 ps, a value comparable with the mean surface residence time. It is also seen that interfacial molecules move considerably faster, and their H-bonds live shorter, than in the bulk liquid phase. This finding is explained by the relation between the number of H-bonded neighbors and mobility, namely that molecules being tethered by more H-bonds move slower, and their H-bonds live longer than in the case of molecules of less extensive H-bonding. Finally, it is found that molecules residing long at the surface are clustering around each other, forming more and longer living H-bonds within the surface layer, but much less outside this layer than other interfacial molecules, indicating that longer surface residence is related to weaker interaction with the subsurface region.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Physical Chemistry. C",
title = "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis",
volume = "120",
number = "16",
pages = "8578-8588",
doi = "10.1021/acs.jpcc.5b10370"
}

Fabian, B., Senćanski, M., Cvijetić, I., Jedlovszky, P.,& Horvai, G.. (2016). Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C
Amer Chemical Soc, Washington., 120(16), 8578-8588.
https://doi.org/10.1021/acs.jpcc.5b10370

Fabian B, Senćanski M, Cvijetić I, Jedlovszky P, Horvai G. Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. in Journal of Physical Chemistry. C. 2016;120(16):8578-8588.
doi:10.1021/acs.jpcc.5b10370 .

Fabian, Balazs, Senćanski, Milan, Cvijetić, Ilija, Jedlovszky, Pal, Horvai, George, "Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis" in Journal of Physical Chemistry. C, 120, no. 16 (2016):8578-8588,
https://doi.org/10.1021/acs.jpcc.5b10370 . .

TY  - DATA
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Marinković, Aleksandar
AU  - Verbić, Tatjana
AU  - Cvijetić, Ilija
AU  - Senćanski, Milan
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Sladić, Dušan
AU  - Striković, Zlatko
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3461
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3461
ER  - 

@misc{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Marinković, Aleksandar and Verbić, Tatjana and Cvijetić, Ilija and Senćanski, Milan and Rodić, Marko and Vujčić, Miroslava and Sladić, Dušan and Striković, Zlatko and Todorović, Tamara and Muller, Christian D.",
year = "2015",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3461"
}

Filipović, N. R., Bjelogrlić, S. K., Marinković, A., Verbić, T., Cvijetić, I., Senćanski, M., Rodić, M., Vujčić, M., Sladić, D., Striković, Z., Todorović, T.,& Muller, C. D.. (2015). Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f. in RSC Advances
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3461

Filipović NR, Bjelogrlić SK, Marinković A, Verbić T, Cvijetić I, Senćanski M, Rodić M, Vujčić M, Sladić D, Striković Z, Todorović T, Muller CD. Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f. in RSC Advances. 2015;.
https://hdl.handle.net/21.15107/rcub_cherry_3461 .

Filipović, Nenad R., Bjelogrlić, Snežana K., Marinković, Aleksandar, Verbić, Tatjana, Cvijetić, Ilija, Senćanski, Milan, Rodić, Marko, Vujčić, Miroslava, Sladić, Dušan, Striković, Zlatko, Todorović, Tamara, Muller, Christian D., "Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f" in RSC Advances (2015),
https://hdl.handle.net/21.15107/rcub_cherry_3461 .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Marinković, Aleksandar
AU  - Verbić, Tatjana
AU  - Cvijetić, Ilija
AU  - Senćanski, Milan
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Sladić, Dušan
AU  - Striković, Zlatko
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1960
AB  - A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists of a cation [Zn(Hqasesc)(2)](2+), two perchlorate anions and one ethanol solvent molecule. The interaction of calf thymus (CT) DNA and human serum albumin (HSA) with the Zn(II) complex was explored using absorption and emission spectral methods, and also has been supported by molecular docking studies. The complex has more affinity to minor DNA groove than major, with no significant intercalation. The HSA interaction studies of the complex revealed the quenching of the intrinsic fluorescence of the HSA through a static quenching mechanism. The antitumor activity of the ligand and the complex against pancreatic adenocarcinoma cell line (AsPC-1) and acute monocytic leukemia (THP-1) cells was evaluated. Both compounds are strong concentration-dependent apoptosis inducers in THP-1 cells. While Hqasesc in AsPC-1 cells induces apoptosis only at the highest concentration, treatment with the Zn complex shows a concentration-dependent apoptotic response, where the treated cells are arrested in the G1-to-S phase accompanied with extensive activation of caspase-8 and -9. These results indicate that the ligand and Zn(II) complex display cell phenotype specific activity.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction
VL  - 5
IS  - 115
SP  - 95191
EP  - 95211
DO  - 10.1039/c5ra19849f
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Marinković, Aleksandar and Verbić, Tatjana and Cvijetić, Ilija and Senćanski, Milan and Rodić, Marko and Vujčić, Miroslava and Sladić, Dušan and Striković, Zlatko and Todorović, Tamara and Muller, Christian D.",
year = "2015",
abstract = "A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists of a cation [Zn(Hqasesc)(2)](2+), two perchlorate anions and one ethanol solvent molecule. The interaction of calf thymus (CT) DNA and human serum albumin (HSA) with the Zn(II) complex was explored using absorption and emission spectral methods, and also has been supported by molecular docking studies. The complex has more affinity to minor DNA groove than major, with no significant intercalation. The HSA interaction studies of the complex revealed the quenching of the intrinsic fluorescence of the HSA through a static quenching mechanism. The antitumor activity of the ligand and the complex against pancreatic adenocarcinoma cell line (AsPC-1) and acute monocytic leukemia (THP-1) cells was evaluated. Both compounds are strong concentration-dependent apoptosis inducers in THP-1 cells. While Hqasesc in AsPC-1 cells induces apoptosis only at the highest concentration, treatment with the Zn complex shows a concentration-dependent apoptotic response, where the treated cells are arrested in the G1-to-S phase accompanied with extensive activation of caspase-8 and -9. These results indicate that the ligand and Zn(II) complex display cell phenotype specific activity.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction",
volume = "5",
number = "115",
pages = "95191-95211",
doi = "10.1039/c5ra19849f"
}

Filipović, N. R., Bjelogrlić, S. K., Marinković, A., Verbić, T., Cvijetić, I., Senćanski, M., Rodić, M., Vujčić, M., Sladić, D., Striković, Z., Todorović, T.,& Muller, C. D.. (2015). Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction. in RSC Advances
Royal Soc Chemistry, Cambridge., 5(115), 95191-95211.
https://doi.org/10.1039/c5ra19849f

Filipović NR, Bjelogrlić SK, Marinković A, Verbić T, Cvijetić I, Senćanski M, Rodić M, Vujčić M, Sladić D, Striković Z, Todorović T, Muller CD. Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction. in RSC Advances. 2015;5(115):95191-95211.
doi:10.1039/c5ra19849f .

Filipović, Nenad R., Bjelogrlić, Snežana K., Marinković, Aleksandar, Verbić, Tatjana, Cvijetić, Ilija, Senćanski, Milan, Rodić, Marko, Vujčić, Miroslava, Sladić, Dušan, Striković, Zlatko, Todorović, Tamara, Muller, Christian D., "Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction" in RSC Advances, 5, no. 115 (2015):95191-95211,
https://doi.org/10.1039/c5ra19849f . .

TY  - JOUR
AU  - Senćanski, Milan
AU  - Ivanović, Milovan
AU  - Došen-Mićović, Ljiljana
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1801
AB  - An opioid receptor like (ORL1) receptor is one of a family of G-protein-coupled receptors (GPCR); it represents a new pharmaceutical target with extensive therapeutic potential for the regulation of important biological functions such as nociception, mood disorders, drug abuse, learning or cardiovascular control. Although the crystal structure of the inactive form of the ORL1 receptor has been determined, little is known about its activation. By using X-ray structures of the beta 2-adrenegic receptor in its inactive (2RH1) and active (3P0G) states as templates, inactive and active homology models of the ORL1 receptor were constructed. Structurally diverse sets of strongly binding antagonists and agonists were docked with both ORL1 receptor forms. The major receptor-ligand interactions responsible for antagonist and agonist binding were identified. Although both sets of ligands, agonists and antagonists, bind to the same region of the receptor, they occupy partially different binding pockets. Agonists bind to the inactive receptor in a slightly different manner than antagonists. This difference is more pronounced in binding to the active ORL1 receptor model and points to the amino acids at the extracellular end of TM6, suggesting that this region is important for receptor-activation. (C) 2014 Institute of Chemistry, Slovak Academy of Sciences
PB  - Springer International Publishing Ag, Cham
T2  - CHEMICAL PAPERS
T1  - Modelling of ORL1 receptor-ligand interactions
VL  - 68
IS  - 10
SP  - 1305
EP  - 1316
DO  - 10.2478/s11696-014-0577-z
ER  - 

@article{
author = "Senćanski, Milan and Ivanović, Milovan and Došen-Mićović, Ljiljana",
year = "2014",
abstract = "An opioid receptor like (ORL1) receptor is one of a family of G-protein-coupled receptors (GPCR); it represents a new pharmaceutical target with extensive therapeutic potential for the regulation of important biological functions such as nociception, mood disorders, drug abuse, learning or cardiovascular control. Although the crystal structure of the inactive form of the ORL1 receptor has been determined, little is known about its activation. By using X-ray structures of the beta 2-adrenegic receptor in its inactive (2RH1) and active (3P0G) states as templates, inactive and active homology models of the ORL1 receptor were constructed. Structurally diverse sets of strongly binding antagonists and agonists were docked with both ORL1 receptor forms. The major receptor-ligand interactions responsible for antagonist and agonist binding were identified. Although both sets of ligands, agonists and antagonists, bind to the same region of the receptor, they occupy partially different binding pockets. Agonists bind to the inactive receptor in a slightly different manner than antagonists. This difference is more pronounced in binding to the active ORL1 receptor model and points to the amino acids at the extracellular end of TM6, suggesting that this region is important for receptor-activation. (C) 2014 Institute of Chemistry, Slovak Academy of Sciences",
publisher = "Springer International Publishing Ag, Cham",
journal = "CHEMICAL PAPERS",
title = "Modelling of ORL1 receptor-ligand interactions",
volume = "68",
number = "10",
pages = "1305-1316",
doi = "10.2478/s11696-014-0577-z"
}

Senćanski, M., Ivanović, M.,& Došen-Mićović, L.. (2014). Modelling of ORL1 receptor-ligand interactions. in CHEMICAL PAPERS
Springer International Publishing Ag, Cham., 68(10), 1305-1316.
https://doi.org/10.2478/s11696-014-0577-z

Senćanski M, Ivanović M, Došen-Mićović L. Modelling of ORL1 receptor-ligand interactions. in CHEMICAL PAPERS. 2014;68(10):1305-1316.
doi:10.2478/s11696-014-0577-z .

Senćanski, Milan, Ivanović, Milovan, Došen-Mićović, Ljiljana, "Modelling of ORL1 receptor-ligand interactions" in CHEMICAL PAPERS, 68, no. 10 (2014):1305-1316,
https://doi.org/10.2478/s11696-014-0577-z . .

TY  - JOUR
AU  - Šukalović, Vladimir
AU  - Šoškić, Vukić
AU  - Senćanski, Milan
AU  - Andrić, Deana
AU  - Kostić-Rajačić, Slađana
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1617
AB  - Interest in structure-based G-protein-coupled receptor (GPCR) ligand discovery is huge, given that almost 30 % of all approved drugs belong to this category of active compounds. The GPCR family includes the dopamine receptor subtype D2 (D2DR), but unfortunately-as is true of most GPCRs-no experimental structures are available for these receptors. In this publication, we present the molecular model of D2DR based on the previously published crystal structure of the dopamine D3 receptor (D3DR). A molecular modeling study using homology modeling and docking simulation provided a rational explanation for the behavior of the arylpiperazine ligand. The observed binding modes and receptor-ligand interactions provided us with fresh clues about how to optimize selectivity for D2DR receptors.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model
VL  - 19
IS  - 4
SP  - 1751
EP  - 1762
DO  - 10.1007/s00894-012-1731-6
ER  - 

@article{
author = "Šukalović, Vladimir and Šoškić, Vukić and Senćanski, Milan and Andrić, Deana and Kostić-Rajačić, Slađana",
year = "2013",
abstract = "Interest in structure-based G-protein-coupled receptor (GPCR) ligand discovery is huge, given that almost 30 % of all approved drugs belong to this category of active compounds. The GPCR family includes the dopamine receptor subtype D2 (D2DR), but unfortunately-as is true of most GPCRs-no experimental structures are available for these receptors. In this publication, we present the molecular model of D2DR based on the previously published crystal structure of the dopamine D3 receptor (D3DR). A molecular modeling study using homology modeling and docking simulation provided a rational explanation for the behavior of the arylpiperazine ligand. The observed binding modes and receptor-ligand interactions provided us with fresh clues about how to optimize selectivity for D2DR receptors.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model",
volume = "19",
number = "4",
pages = "1751-1762",
doi = "10.1007/s00894-012-1731-6"
}

Šukalović, V., Šoškić, V., Senćanski, M., Andrić, D.,& Kostić-Rajačić, S.. (2013). Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model. in Journal of Molecular Modeling
Springer, New York., 19(4), 1751-1762.
https://doi.org/10.1007/s00894-012-1731-6

Šukalović V, Šoškić V, Senćanski M, Andrić D, Kostić-Rajačić S. Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model. in Journal of Molecular Modeling. 2013;19(4):1751-1762.
doi:10.1007/s00894-012-1731-6 .

Šukalović, Vladimir, Šoškić, Vukić, Senćanski, Milan, Andrić, Deana, Kostić-Rajačić, Slađana, "Determination of key receptor-ligand interactions of dopaminergic arylpiperazines and the dopamine D2 receptor homology model" in Journal of Molecular Modeling, 19, no. 4 (2013):1751-1762,
https://doi.org/10.1007/s00894-012-1731-6 . .

TY  - DATA
AU  - Šukalović, Vladimir
AU  - Šoškić, Vukić
AU  - Senćanski, Milan
AU  - Andrić, Deana
AU  - Kostić-Rajačić, Slađana
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3483
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3483
ER  - 

@misc{
author = "Šukalović, Vladimir and Šoškić, Vukić and Senćanski, Milan and Andrić, Deana and Kostić-Rajačić, Slađana",
year = "2013",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3483"
}

Šukalović, V., Šoškić, V., Senćanski, M., Andrić, D.,& Kostić-Rajačić, S.. (2013). Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6. in Journal of Molecular Modeling
Springer, New York..
https://hdl.handle.net/21.15107/rcub_cherry_3483

Šukalović V, Šoškić V, Senćanski M, Andrić D, Kostić-Rajačić S. Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6. in Journal of Molecular Modeling. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3483 .

Šukalović, Vladimir, Šoškić, Vukić, Senćanski, Milan, Andrić, Deana, Kostić-Rajačić, Slađana, "Supplementary data for article: Šukalović, V.; Šoškić, V.; Senčanski, M.; Andrić, D.; Kostić-Rajačić, S. Determination of Key Receptor-Ligand Interactions of Dopaminergic Arylpiperazines and the Dopamine D2 Receptor Homology Model. Journal of Molecular Modeling 2013, 19 (4), 1751–1762. https://doi.org/10.1007/s00894-012-1731-6" in Journal of Molecular Modeling (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3483 .