Synthesis and Biologic Evaluation of Substituted 5‐methyl‐2‐phenyl‐1H‐pyrazol‐3(2H)‐one Derivatives as Selective COX‐2 Inhibitors: Molecular Docking Study

The present study reported the synthesis and biologic evaluation of new pyrazolone derivatives for COX‐2 inhibitory activities and investigated in vivo for their anti‐inflammatory activities using carrageenan‐induced rat paw edema model as well as in vitro using HRBC membrane stabilization and protein denaturation method. Eight derivatives showed pronounced COX‐2 inhibition, and 5a, 5d, and 5f exhibited the highest COX‐2 inhibition. The derivatives were further evaluated for antioxidant activity wherein 5a and 5b showed potent free radical‐scavenging activity against DPPH, nitric oxide, and hydrogen peroxide radicals. Molecular docking study revealed the binding orientations of pyrazolone derivatives into the active sites of COX‐2 and thereby helps to design the potent inhibitors.

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