Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones
Само за регистроване кориснике
2020
Аутори
Klisurić, OliveraArmaković, Sanja J.
Armaković, Stevan
Marković, Sanja B.
Todorović, Tamara
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:
Antimicrobial activity / DFT / Drug likenes parameters / Single crystal X-ray analysis / ThiosemicarbazonesИзвор:
Journal of Molecular Structure, 2020, 1203, 127482-Издавач:
- Elsevier
Финансирање / пројекти:
- 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)
- 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
Колекције
Институција/група
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 . .