Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones
Nema prikaza
Autori
Klisurić, Olivera R.Armaković, Sanja J.
Armaković, Stevan
Marković, Sanja
Todorović, Tamara R.
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:
Thiosemicarbazones / Single crystal X-ray analysis / Drug likenes parameters / DFT / Antimicrobial activityIzvor:
Journal of Molecular Structure, 2020, 1203Izdavač:
- Elsevier, Amsterdam
Finansiranje / projekti:
- Provincial Secretariat for Higher Education and Scientific Research, Autonomous Province of Vojvodina [142-451-2362/2018-01]
- 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)
DOI: 10.1016/j.molstruc.2019.127482
ISSN: 0022-2860
WoS: 000504448700092
Scopus: 2-s2.0-85075879698
Institucija/grupa
Institut za molekularnu genetiku i genetičko inženjerstvoTY - JOUR AU - Klisurić, Olivera R. AU - Armaković, Sanja J. AU - Armaković, Stevan AU - Marković, Sanja AU - Todorović, Tamara R. AU - Portalone, Gustavo AU - Novović, Katarina AU - Lozo, Jelena AU - Filipović, Nenad R. PY - 2020 UR - https://imagine.imgge.bg.ac.rs/handle/123456789/1405 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, Amsterdam T2 - Journal of Molecular Structure T1 - Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones VL - 1203 DO - 10.1016/j.molstruc.2019.127482 ER -
@article{ author = "Klisurić, Olivera R. and Armaković, Sanja J. and Armaković, Stevan and Marković, Sanja and Todorović, Tamara R. 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, Amsterdam", journal = "Journal of Molecular Structure", title = "Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones", volume = "1203", doi = "10.1016/j.molstruc.2019.127482" }
Klisurić, O. R., Armaković, S. J., Armaković, S., Marković, S., Todorović, T. R., 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, Amsterdam., 1203. https://doi.org/10.1016/j.molstruc.2019.127482
Klisurić OR, Armaković SJ, Armaković S, Marković S, Todorović TR, 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. doi:10.1016/j.molstruc.2019.127482 .
Klisurić, Olivera R., Armaković, Sanja J., Armaković, Stevan, Marković, Sanja, Todorović, Tamara R., 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), https://doi.org/10.1016/j.molstruc.2019.127482 . .