Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones
Нема приказа
Аутори
Klisurić, Olivera R.Armaković, Sanja J.
Armaković, Stevan
Marković, Sanja
Todorović, Tamara R.
Portalone, Gustavo
Novović, Katarina
Lozo, Jelena
Filipović, Nenad R.
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Thiosemicarbazones / Single crystal X-ray analysis / Drug likenes parameters / DFT / Antimicrobial activityИзвор:
Journal of Molecular Structure, 2020, 1203Издавач:
- Elsevier, Amsterdam
Финансирање / пројекти:
- Provincial Secretariat for Higher Education and Scientific Research, Autonomous Province of Vojvodina [142-451-2362/2018-01]
- Усмерена синтеза, структура и својства мултифункционалних материјала (RS-MESTD-Basic Research (BR or ON)-172057)
- Виртуелни коштано зглобни систем човека и његова примена у претклиничкој и клиничкој пракси (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-41017)
- Изучавање гена и молекуларних механизама у основи пробиотичке активности бактерија млечне киселине изолованих са подручја западног Балкана (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
Институција/група
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 . .