Design and synthesis of substituted pyrrole derivatives as COX-2 inhibitors

Abstract

Docking studies into the catalytic sites of COX-2 inhibitor were used to identify potential lead COX-2 inhibitor compounds. Those derivatives with good binding energies were chosen for synthesis and biological evaluation was done to support docking results with practical data. Compound P1, P2 and P3 endowed with best binding energy (-5.72, -5.71 and -5.82 kcal/mol respectively) in docking studies with COX-2 receptor. For analgesic evaluation acetic acid induced writhing method and hot plate method were used. The results indicate that three compounds (P1, P2 and P3) possess the analgesic activity at ≥47.5 mg/kg dose level.