Microwave assisted synthesis and in silico molecular modeling studies some new derivatives of (Z)-N-(4-(4-(substituted-benzylidene)-5-oxo-2-phenyl-4,5- dihydroimidazol-1-yl)phenyl)acetamide as lead compounds

Mayank Bapna; Lalit Singh Chauhan

Abstract

Microwave assisted synthesis and in silico molecular modeling studies some new derivatives of (Z)-N-(4-(4-(substituted-benzylidene)-5-oxo-2-phenyl-4,5- dihydroimidazol-1-yl)phenyl)acetamide as lead compounds

Author(s): Mayank Bapna, Lalit Singh Chauhan

COX-2 inhibitors are used to treat pain due to Rheumatoid arthritis. NSAID’s is one such category but due to the ulcerogenic and thromboembolic effect of some of these drugs the search for new compound is always on. The present approach of synthesizing (Z)-N-(4-(4-(substituted-benzylidene)-5-oxo-2-phenyl-4,5-dihydroimidazol-1- yl)phenyl)acetamide (3.1-3.10) as selective COX-2 inhibitors is directed towards the same. Ten compounds were synthesized using the principle of Erlenmeyer-Ploch synthesis for synthesis of oxadiazole and consequently imidazole derivatives. The synthesized compounds were analyzed using docking studies, for various parameters like hydrophobicity, hydrogen bonding, sitemap interactions. The structures of synthesized imidazole derivatives were proved by means of their IR, 1H-NMR, (EI) mass. Among the synthesized compounds, 3.10 exhibited significant glide score as an analgesic using 5COX as receptor.

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