COMPARATIVE DOCKING STUDIES ON THE EFFECT OF COMMERCIAL DRUGS ON DIPEPTIDYL PEPTIDASE-4 (DPP-4)

Objective : The aim of our study was to validate the accuracy of computational tools in drug discovery and molecular interaction studies by studying the inhibitory activity of various commercial drugs on DPP-4. Methods: In order to validate the accuracy of computational tools, 50 commercially available drugs were docked with DPP-4, a major target for type 2 diabetes treatment. Studies were performed using Discovery studio 3.5. Results: The analysis showed that out of the fifty selected drugs, 33 drugs passed the Lipinski’s rule and commercially prescribed drugs namely Sulfonylurea, Pregabalin and Metaformin were found to have maximum interaction with the target. Conclusion: These major drugs which yielded the best results were found to be used in the treatment of diabetes which reconfirms the efficacy of these drugs, druggability of the target as well as the accuracy of the tool used.