期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1245, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2021.131260
关键词
Imidazo[2,1-b]thiazole; synthesis; alpha-glucosidase inhibitory activity; computer-aided drug design; ADME properties
资金
- Istanbul University Scientific Re-search Project [TDK-2019-33740]
- Scientific and Technological Research Council of Turkey (TuBITAK) [BIDEB 2211-C, 2019/1, 1649B031901092]
The newly synthesized imidazo[2,1-b]thiazole derivatives show potential as a novel class of alpha-glucosidase inhibitors for the treatment of type 2 diabetes mellitus. In both in vitro and in vivo experiments, these compounds exhibited significantly higher activity compared to the existing drug Acarbose.
Inhibiting the degradation of carbohydrates into glucose is considered to be an effective treatment for type 2 diabetes mellitus. Herein, a series of novel thiosemicarbazide and 1,2,4-triazole-3-thione derivatives of imidazo[2,1-b]thiazole were synthesized and evaluated for their alpha-glucosidase inhibitory activity. Compound 5c (IC50: 4.54 +/- 0.19 mu M) was found approximately 47 times more active than Acarbose (IC50: 214.71 +/- 8.34 mu M). In addition to the in vitro analysis, molecular docking studies were employed to explore the possible binding interactions of the title compounds. Structure-activity relationships, as well as virtual ADME studies, were carried out and a relationship between biological, electronic, and physicochemical qualifications of the target compounds was determined. Consequently, our studies indicated that these imidazo[2,1-b]thiazole derivatives possess the potential of being a novel class of alpha-glucosidase inhibitors. (C) 2021 Elsevier B.V. All rights reserved.
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