IDENTIFICATION OF A POTENT INHIBITOR AGAINST CATHEPSIN-K FOR OSTEOPOROSIS: A STRUCTURE BASED VIRTUAL SCREENING APPROACH

Cathepsin K (Cat K) is a lysosomal cysteine protease which involves in degradation of bone may lead to severe bone fragility in Osteoporosis patients. Cat K is the primary enzyme involved in osteoclastic bone resorption. Inhibition of Cat K represents a potential drug target for Osteoporosis. Odanacatib (CID 10152654) is a known potent, reversible nonpeptidic biaryl inhibitor for Cat K. The PubChem Database was screened for similar potent drug like compounds as Odanacatib. Virtual Screening and Docking studies were performed for these molecules against Cat K protein using PyRx Virtual Screening Tool and AutoDock Vina. The docking results showed that the compounds CID42633343, CID42634247, CID42634755, CID42634578 and CID44447660 were having highest binding affinity values like-10,-8.9,-8.8, 8.6 and 8.6. The present study indicates that the lead molecules have to be evaluated further for better potential lead molecules