期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1240, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2021.130512
关键词
Hydrazonyl-thiazoles; Single crystal X-ray analysis; Antiproliferative activity; Antioxidant activity; Drug likeness parameters; DFT
资金
- Ministry of Education, Science and Technological Development of the Republic of Serbia [451-03-9/2021-14/20 0288, 451-03-6 8/2020-14/20016 8]
- Spanish Government [PGC2018-094503-B-C22]
In this study, it was found that selenium compounds exhibit greater potency in antioxidant and antiproliferative activities compared to their sulfur isosteres. The pharmacokinetic profiles of the compounds were also assessed using insilico calculations.
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. Insilico 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. (c) 2021 Elsevier B.V. All rights reserved.
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