Some selective polyphenolics was designed computationally and screened through insilico docking studies against crystal structure of Dipeptidylpeptidase-IV (DPP-IV) as a projected target for Type 2 Diabetes Mellitus. Insilico docking (rigid and flexible) methodology using Auto Dock 4.2 comprising a search method Genetic Lamarckian algorithm was used. Genetic Lamarckian algorithm performs an Automated Docking and has an advantage of empirical binding free energy force field that allows the prediction of binding free energies, and hence binding constants, for docked ligands. In-silico evaluation shows satisfactory docking results, when compared with standard using rigid and as well as flexible docking It is concluded that investigational ligands has the potential of inhibiting DPP-IV and there by further screening (invitro and invivo) studies can be carried out in order to find out optimized bioflavonoids for treating type2diabetes mellitus.
