In-silico molecular docking analysis of some plant derived molecules for anti-inflammatory inhibitory activity

A significant challenge of contemporary medicine is to make substances that regulate certain enzymes while leaving related isozymes unaffected. The two essential proteins, namely Cyclooxygenase-2 (COX-2) and inducible Nitric Oxide Synthase (iNOS) are essential mediators of an inflammatory process. Nonsteroidal Anti-inflammatory Drugs (NSAIDs) like Indomethacin act via inhibition of COX enzyme, COX catalyzes the first step of the biosynthesis of prostaglandins (Dannhardt and Kiefer, 2001). Prostaglandins (PGs), found in most of the tissues and organs, are the arachidonic acid metabolites of the Cyclooxygenase (COX) pathway and are significant mediators in the regulation of the inflammation and immune function (Smith et al., 2000). It has been shown that COX enzyme exists in two isoforms COX-1 and COX-2 (Marnett et al., 1999). In regards to amino acid composition, these enzymes are about 60% identical, and their catalytic areas are commonly conserved (Picot et al., 1994). The COX-1 enzyme is responsible for maintaining gastric and renal integrity, and COX-2 is an inducible enzyme responsible for the production of proinflammatory PGs, causing inflammation and pain (Seibert et al., 1994). The COX-2 inhibitors are useful for the relief of chronic pain in elderly patients with osteoarthritis and rheumatoid arthritis (Savage, 2005).