IN SILICO DOCKING STUDIES ON THE COMPONENTS OF INONOTUS SP., A MEDICINAL MUSHROOM AGAINST CYCLOOXYGENASE-2 ENZYME

Inonotus sp., mushroom is widely present and known for its medicinal property. This mushroom produces several bioactive compounds with various pharmaceutical uses. In the present study, about 8 biologically active compounds from Inonotus sp., were analyzed for its drug likeliness based on Lipinski's rule of five and inhibitor property against the COX-2 enzyme, a protein responsible for inflammation. The compounds which satisfy the Lipinski's rule namely inotilone, 4-(3,4-dihydroxyphenyl)butanone and hispidin were subjected to docking experiments using AutoDock 4.2. Molecular docking studies revealed that inotilone, hispidin and 4-(3,4-dihydroxyphenyl) buanone bind effectively to the active site region of COX-2 with a binding energy of -6.73, -7.78 and -5.63 respectively. Hence, compounds reported from Inonotus sp., were found to possess potential medicinal value with anti-inflammatory properties and this provides potential insight to develop new COX-2 inhibitors.KeywordsInonotus sp., Inflammation, COX-2, AutoDock