Computational identification of potential dipeptidyl peptidase (DPP)-IV inhibitors: Structure based virtual screening, molecular dynamics simulation and knowledge based SAR studies
Virendra Nath, Manish Ramchandani, Neeraj Kumar, Rohini Agrawal, Vipin Kumar
Topics & Concepts
ADMEChemistrySitagliptinVirtual screeningIn silicoDipeptidyl peptidase-4Computational biologyMolecular dynamicsPharmacologyEnzymeDrug discoveryBiochemistryDiabetes mellitusType 2 Diabetes MellitusType 2 diabetesComputational chemistryMedicineEndocrinologyIn vitroBiologyGenePeptidase Inhibition and AnalysisComputational Drug Discovery MethodsNeuropeptides and Animal Physiology