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Synthesis, Pharmacological Evaluation, Molecular Docking and in silico ADMET Prediction of Nitric Oxide Releasing Biphenyls as Anti-Inflammatory Agents

Monika G. Shinde; Siddharth J. Modi; Vithal M. Kulkarni.

Abstract
Various substituted 2-(4'-methyl-N-phenyl-[1,1'-biphenyl]-2-ylcarboxamido)-2-oxoethyl nitrate derivatives were synthesized and evaluated for analgesic, anti-inflammatory and ulcerogenic activity and for their ability to release nitric oxide. Compounds VM 4, VM 6, VM 9, VM 10 and VM 12 exhibited good analgesic and anti-inflammatory activity compared to standard drug diclofenac. The compounds also showed decreased gastro-intestinal ulcerogenicity and gastro-protective activity in histopathological studies resulting in absence of mucosal injury. All the synthesized compounds were found to have significant in vivo nitric oxide releasing activity. The molecular docking was performed to understand the binding mode of these compounds. Results of this study indicated that these NO-NSAIDs may have affinity towards COX-2 active site which can further be explored for selective or non-selective inhibitors.

Key words: Biphenyl derivatives;Synthesis;Docking;ADMET;Anti-inflammatory activity



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