COMPUTER AIDED DOCKING STUDIES OF SOME NOVEL HETEROCYCLIC ANALOGUES OF NAPROXEN AS POTENT AND SAFER ANTI-INFLAMMATORY AGENTS

Abstract

Naproxen sodium is being used for the treatment of pain and inflammation. But as all the NSAIDs are suffering from severe GI toxicities, Naproxen sodium is also not an exception to these toxicities due to its greater selectivity with COX-1 than COX-2. In the present work, the motto was to develop some novel 1, 3, 4-oxadiazole analogues of Naproxen, which have very good potency and greater selectivity with the COX-2 enzyme than the COX-1 enzyme with the help of fast flexible molecular docking studies in order to decrease the GI toxicity. For this purpose, we have designed ten new ligands. All the ligands showed greater COX-2 selectivity and very good potency than the standard Naproxen.