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.
Кључне речи:
Antioxidant activity / Antiproliferative activity / DFT / Drug likeness parameters / Hydrazonyl‒thiazoles / Single crystal X-ray analysis
Извор:
Journal of Molecular Structure, 2021, 1240, 130512-
TY - JOUR
AU - Araškov, Jovana B.
AU - Nikolić, Milan
AU - Armaković, Stevan
AU - Armaković, Sanja
AU - Rodić, Marko
AU - Vušnjevac, Aleksandar
AU - Padrón, José M.
AU - Todorović, Tamara R.
AU - Filipović, Nenad R.
PY - 2021
UR - http://aspace.agrif.bg.ac.rs/handle/123456789/5849
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 B.V.
T2 - Journal of Molecular Structure
T1 - Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres
SP - 130512
VL - 1240
DO - 10.1016/j.molstruc.2021.130512
ER -
@article{
author = "Araškov, Jovana B. and Nikolić, Milan and Armaković, Stevan and Armaković, Sanja and Rodić, Marko and Vušnjevac, Aleksandar and Padrón, José M. and Todorović, Tamara R. 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 B.V.",
journal = "Journal of Molecular Structure",
title = "Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres",
pages = "130512",
volume = "1240",
doi = "10.1016/j.molstruc.2021.130512"
}
Araškov, J. B., Nikolić, M., Armaković, S., Armaković, S., Rodić, M., Vušnjevac, A., Padrón, J. M., Todorović, T. R.,& 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 B.V.., 1240, 130512.
https://doi.org/10.1016/j.molstruc.2021.130512
Araškov JB, Nikolić M, Armaković S, Armaković S, Rodić M, Vušnjevac A, Padrón JM, Todorović TR, 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 B., Nikolić, Milan, Armaković, Stevan, Armaković, Sanja, Rodić, Marko, Vušnjevac, Aleksandar, Padrón, José M., Todorović, Tamara R., 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 . .
