Potent inhibitors precise to S1′ loop of MMP-13, a crucial target for osteoarthritis

Ligand and protein based pharmacophore models were generated and validated. The validated hypotheses were used to screen databases and the screened compounds are sorted by applying docking studies using different scoring functions like XP, SP and E-model energies and also drug-likeness properties to identify the novel and selective leads for MMP-13 receptor.