Synthesis, in silico analysis and antidepressant activity of 1,3,4-oxadiazole derivatives

Gatphoh, Banylla Felicity Dkhar and Aggarwal, Natasha Naval and Madan Kumar, S. and Vijay Kumar, M. and Revanasiddappa, B. C. (2022) Synthesis, in silico analysis and antidepressant activity of 1,3,4-oxadiazole derivatives. Bangladesh Journal of Pharmacology, 17 (1). ISSN 1991-0088

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Abstract

The compounds 1,3,4-oxadiazole derivatives (1-8) were synthesized by the cyclization of 4-hydroxy benzhydrazide (1) with various substituted aromatic aldehydes (2) using FeCl3 as catalyst and methanol as a solvent medium. The structures of the newly synthesized compounds were assigned based on FT-IR, H-1-NWIR, and mass spectral data. In vivo antidepressant activity was performed by tail suspension test and forced swimming test models. Using the Schrodinger Maestro, the in silico analysis was performed and docked to the glycogen synthase kinase 3 beta binding site (PDB: 3GB2). Compounds 8 4,4'-(1,3,4-oxadiazole-2,5-diyl)diphenol] and 3 3-(5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl) phenol] showed both potent inhibitory activity against GSK-3 beta with a docking score of -7.800 kcal/mol as well as good antidepressant activity in both tail suspension and forced swimming tests models. The synthesized derivatives showed good antidepressive potential.

Item Type:	Article
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Institution of Excellence
Depositing User:	C Swapna Library Assistant
Date Deposited:	04 Sep 2023 09:42
Last Modified:	04 Sep 2023 09:42
URI:	http://eprints.uni-mysore.ac.in/id/eprint/17714

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