Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones
Samo za registrovane korisnike
2020
Autori
Klisurić, OliveraArmaković, Sanja J.
Armaković, Stevan
Marković, Sanja B.
Todorović, Tamara
Portalone, Gustavo
Novović, Katarina
Lozo, Jelena
Filipović, Nenad R.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
In this work pharmaceutical application of focused library of six quinoline-based chalcogensemicarbazones (QBCs) was tested through determination of their antimicrobial activity against twenty-eight Gram-negative and Gram-positive strains from different origin. Pharmacokinetic properties have been assessed by the analysis of frequently employed drug likeness parameters. Computational study has been complemented with calculation of their global and local reactive properties, within the framework of density functional theory (DFT). Among other information, DFT calculations helped us to locate the most reactive sites of investigated QBCs and to identify their sensitivity towards the oxidation.
Ključne reči:
Antimicrobial activity / DFT / Drug likenes parameters / Single crystal X-ray analysis / ThiosemicarbazonesIzvor:
Journal of Molecular Structure, 2020, 1203, 127482-Izdavač:
- Elsevier
Finansiranje / projekti:
- Usmerena sinteza, struktura i svojstva multifunkcionalnih materijala (RS-MESTD-Basic Research (BR or ON)-172057)
- Virtuelni koštano zglobni sistem čoveka i njegova primena u pretkliničkoj i kliničkoj praksi (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-41017)
- Izučavanje gena i molekularnih mehanizama u osnovi probiotičke aktivnosti bakterija mlečne kiseline izolovanih sa područja zapadnog Balkana (RS-MESTD-Basic Research (BR or ON)-173019)
- Provincial Secretariat for Higher Education and Scientific Research, Autonomous Province of Vojvodina (project No. 142-451-2362/ 2018-01)
DOI: 10.1016/j.molstruc.2019.127482
ISSN: 0022-2860
WoS: 000504448700092
Scopus: 2-s2.0-85075879698
Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Klisurić, Olivera AU - Armaković, Sanja J. AU - Armaković, Stevan AU - Marković, Sanja B. AU - Todorović, Tamara AU - Portalone, Gustavo AU - Novović, Katarina AU - Lozo, Jelena AU - Filipović, Nenad R. PY - 2020 UR - https://cherry.chem.bg.ac.rs/handle/123456789/3801 AB - In this work pharmaceutical application of focused library of six quinoline-based chalcogensemicarbazones (QBCs) was tested through determination of their antimicrobial activity against twenty-eight Gram-negative and Gram-positive strains from different origin. Pharmacokinetic properties have been assessed by the analysis of frequently employed drug likeness parameters. Computational study has been complemented with calculation of their global and local reactive properties, within the framework of density functional theory (DFT). Among other information, DFT calculations helped us to locate the most reactive sites of investigated QBCs and to identify their sensitivity towards the oxidation. PB - Elsevier T2 - Journal of Molecular Structure T1 - Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones VL - 1203 SP - 127482 DO - 10.1016/j.molstruc.2019.127482 ER -
@article{ author = "Klisurić, Olivera and Armaković, Sanja J. and Armaković, Stevan and Marković, Sanja B. and Todorović, Tamara and Portalone, Gustavo and Novović, Katarina and Lozo, Jelena and Filipović, Nenad R.", year = "2020", abstract = "In this work pharmaceutical application of focused library of six quinoline-based chalcogensemicarbazones (QBCs) was tested through determination of their antimicrobial activity against twenty-eight Gram-negative and Gram-positive strains from different origin. Pharmacokinetic properties have been assessed by the analysis of frequently employed drug likeness parameters. Computational study has been complemented with calculation of their global and local reactive properties, within the framework of density functional theory (DFT). Among other information, DFT calculations helped us to locate the most reactive sites of investigated QBCs and to identify their sensitivity towards the oxidation.", publisher = "Elsevier", journal = "Journal of Molecular Structure", title = "Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones", volume = "1203", pages = "127482", doi = "10.1016/j.molstruc.2019.127482" }
Klisurić, O., Armaković, S. J., Armaković, S., Marković, S. B., Todorović, T., Portalone, G., Novović, K., Lozo, J.,& Filipović, N. R.. (2020). Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones. in Journal of Molecular Structure Elsevier., 1203, 127482. https://doi.org/10.1016/j.molstruc.2019.127482
Klisurić O, Armaković SJ, Armaković S, Marković SB, Todorović T, Portalone G, Novović K, Lozo J, Filipović NR. Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones. in Journal of Molecular Structure. 2020;1203:127482. doi:10.1016/j.molstruc.2019.127482 .
Klisurić, Olivera, Armaković, Sanja J., Armaković, Stevan, Marković, Sanja B., Todorović, Tamara, Portalone, Gustavo, Novović, Katarina, Lozo, Jelena, Filipović, Nenad R., "Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones" in Journal of Molecular Structure, 1203 (2020):127482, https://doi.org/10.1016/j.molstruc.2019.127482 . .