Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres
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2021
Authors
Araškov, JovanaNikolić, Milan
Armaković, Stevan
Armaković, Sanja
Rodić, Marko
Višnjevac, Aleksandar
Padrón, José M.
Todorović, Tamara
Filipović, Nenad R.
Article (Published version)
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Show full item recordAbstract
To evaluate the impact of chalcogen atom type, we performed a comparative study of antioxidant capacity and antiproliferative activity of a focused library of three pyridine-based hydrazonyl-1,3-selenazoles and their sulfur isosteres in five antioxidant assays and in six human solid tumor cell lines, respectively. In-silico calculations were further used to check pharmacokinetic profiles of investigated compounds such as drug-likeness parameters and interaction with water. Generally, selenium compounds appear to be more potent in comparison to sulfur isosteres in the performed essays.
Keywords:
Antioxidant activity / Antiproliferative activity / DFT / Drug likeness parameters / Hydrazonyl‒thiazoles / Single crystal X-ray analysisSource:
Journal of Molecular Structure, 2021, 1240, 130512-Publisher:
- Elsevier
Funding / projects:
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200288 (Innovation Center of the Faculty of Chemistry) (RS-MESTD-inst-2020-200288)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200168 (University of Belgrade, Faculty of Chemistry) (RS-MESTD-inst-2020-200168)
- Spanish Government financial support through project PGC2018-094503-B-C22 (MCIU/AEI/FEDER, UE).
Note:
- Supplementary material: https://cherry.chem.bg.ac.rs/handle/123456789/4540
Related info:
- Referenced by
https://cherry.chem.bg.ac.rs/handle/123456789/4540
DOI: 10.1016/j.molstruc.2021.130512
ISSN: 0022-2860
WoS: 000664244900012
Scopus: 2-s2.0-85105531083
URI
https://www.sciencedirect.com/science/article/pii/S0022286021006451https://cherry.chem.bg.ac.rs/handle/123456789/4539
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Institution/Community
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Araškov, Jovana AU - Nikolić, Milan AU - Armaković, Stevan AU - Armaković, Sanja AU - Rodić, Marko AU - Višnjevac, Aleksandar AU - Padrón, José M. AU - Todorović, Tamara AU - Filipović, Nenad R. PY - 2021 UR - https://www.sciencedirect.com/science/article/pii/S0022286021006451 UR - https://cherry.chem.bg.ac.rs/handle/123456789/4539 AB - To evaluate the impact of chalcogen atom type, we performed a comparative study of antioxidant capacity and antiproliferative activity of a focused library of three pyridine-based hydrazonyl-1,3-selenazoles and their sulfur isosteres in five antioxidant assays and in six human solid tumor cell lines, respectively. In-silico calculations were further used to check pharmacokinetic profiles of investigated compounds such as drug-likeness parameters and interaction with water. Generally, selenium compounds appear to be more potent in comparison to sulfur isosteres in the performed essays. PB - Elsevier T2 - Journal of Molecular Structure T1 - Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres VL - 1240 SP - 130512 DO - 10.1016/j.molstruc.2021.130512 ER -
@article{ author = "Araškov, Jovana and Nikolić, Milan and Armaković, Stevan and Armaković, Sanja and Rodić, Marko and Višnjevac, Aleksandar and Padrón, José M. and Todorović, Tamara and Filipović, Nenad R.", year = "2021", abstract = "To evaluate the impact of chalcogen atom type, we performed a comparative study of antioxidant capacity and antiproliferative activity of a focused library of three pyridine-based hydrazonyl-1,3-selenazoles and their sulfur isosteres in five antioxidant assays and in six human solid tumor cell lines, respectively. In-silico calculations were further used to check pharmacokinetic profiles of investigated compounds such as drug-likeness parameters and interaction with water. Generally, selenium compounds appear to be more potent in comparison to sulfur isosteres in the performed essays.", publisher = "Elsevier", journal = "Journal of Molecular Structure", title = "Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres", volume = "1240", pages = "130512", doi = "10.1016/j.molstruc.2021.130512" }
Araškov, J., Nikolić, M., Armaković, S., Armaković, S., Rodić, M., Višnjevac, A., Padrón, J. M., Todorović, T.,& Filipović, N. R.. (2021). Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres. in Journal of Molecular Structure Elsevier., 1240, 130512. https://doi.org/10.1016/j.molstruc.2021.130512
Araškov J, Nikolić M, Armaković S, Armaković S, Rodić M, Višnjevac A, Padrón JM, Todorović T, Filipović NR. Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres. in Journal of Molecular Structure. 2021;1240:130512. doi:10.1016/j.molstruc.2021.130512 .
Araškov, Jovana, Nikolić, Milan, Armaković, Stevan, Armaković, Sanja, Rodić, Marko, Višnjevac, Aleksandar, Padrón, José M., Todorović, Tamara, Filipović, Nenad R., "Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres" in Journal of Molecular Structure, 1240 (2021):130512, https://doi.org/10.1016/j.molstruc.2021.130512 . .