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PHARMASPIRE - Volume 13, Issue 1, January-March 2021

Pages: 28-34

Date of Publication: 09-Jun-2022

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Synthesis and in silico evaluation of indole derivatives as potential anti-inflammatory agents

Author: Bhaskar, Bhupinder Kumar

Category: Pharmaceutics


Indole is one of most promising pharmacologically active molecules with potential anti-inflammatory activity. We clubbed indole with oxazole and oxadiazole to synthesize a potential anti-inflammatory agent. Synthesis of various required intermediates and newly proposed compounds was achieved in satisfactory yield after purification. The title compounds (5a-g) were synthesized by condensing Chalcone derivatives with hydroxylamine hydrochloride using glacial acetic acid. All the synthesized compounds were subjected to docking studies against COX-1 enzyme, (PDB ID: 3KK6) and COX-2 enzyme (PDB ID: 4COX) using Genetic Optimization for Ligand Docking program. From the series, it was found that all the synthesized compound fit to well at active site of COX-1 and COX-2 enzymes as in case of standard inhibitor celecoxib and indomethacin. In case of COX-1 compounds 5f and 5g was found to have highest docking score with 70.50 and 66.08, respectively, as compared to standard drug indomethacin and celecoxib with docking score of 64.84 and 77.90, respectively. In case of COX-2, compounds 5c, 5f, and 5g were found to have highest docking score with 60.37, 65.13, and 63.18, respectively, among these all compounds as compared to standard drug celecoxib with docking score of 67.90.

Keywords: Anti-inflammatory, chalcone, COX-1, COX-2, indole derivatives


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