Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones
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2020
Authors
Klisurić, OliveraArmaković, Sanja J.
Armaković, Stevan
Marković, Sanja
Todorović, Tamara R.
Portalone, Gustavo
Novović, Katarina
Lozo, Jelena
Filipović, Nenad
Article (Published version)
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Show full item recordAbstract
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.
Keywords:
Thiosemicarbazones / Single crystal X-ray analysis / Antimicrobial activity / Drug likenes parameters / DFTSource:
Journal of Molecular Structure, 2020, 1203Publisher:
- Elsevier, Amsterdam
Funding / projects:
- Provincial Secretariat for Higher Education and Scientific Research, Autonomous Province of Vojvodina [142-451-2362/2018-01]
- Directed synthesis, structure and properties of multifunctional materials (RS-MESTD-Basic Research (BR or ON)-172057)
- Virtual human osteoarticular system and its application in preclinical and clinical practice (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-41017)
- Genes and molecular mechanisms promoting probiotic activity of lactic acid bacteria from Western Balkan (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
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Institution/Community
Poljoprivredni fakultetTY - JOUR AU - Klisurić, Olivera 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 PY - 2020 UR - http://aspace.agrif.bg.ac.rs/handle/123456789/5361 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 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", 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., Armaković, S. J., Armaković, S., Marković, S., Todorović, T. R., Portalone, G., Novović, K., Lozo, J.,& Filipović, N.. (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 O, Armaković SJ, Armaković S, Marković S, Todorović TR, Portalone G, Novović K, Lozo J, Filipović N. 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, Armaković, Sanja J., Armaković, Stevan, Marković, Sanja, Todorović, Tamara R., Portalone, Gustavo, Novović, Katarina, Lozo, Jelena, Filipović, Nenad, "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 . .