De-novo Design of Some New Lead Compounds as Dipeptidyl Peptidase-IV Inhibitors

The use of dipeptidyl peptidase-IV (DPP-IV) inhibitors has been an established practice in the management of type-2 diabetes mellitus in recent years. The present study undertakes De-novo design protocol for the exploration of some new lead compounds which can further be optimized for their development as DPP-IV inhibitors. The e-lea3d drug design pipeline was used to “grow†the molecules inside the active site of DPP-IV and molecular docking results were used for the filtration of compounds with important binding interactions