Design, Modeling, Synthesis and In Vitro Evaluation of new DPP-IV Inhibitors

Ahmed Mehanna

doi:10.15436/2575-808x.18.1712

Abstract

Design, Modeling, Synthesis and In Vitro Evaluation of new DPP-IV Inhibitors

Highlights

DPPIV inhibitors are relatively new class of drugs introduced to the market for the treatment of type2 diabetes
Molecular Modeling All compounds were subjected to energy minimization before docking into the crystal structure catalytic site
Modeling process was validated by comparing the binding mode of the energy minimized pose of Sitagliptin with that observed in the crystal structure. (Figure 4) depicts that the energy minimized pose of the drug is overlaying on the crystal structure pose confirming the validity of the docking process. (Figure 5) depicts the docking modes of all six compounds: alone, and superimposed on sitagliptin crystal structure mode

Summary

Introduction

DPPIV inhibitors are relatively new class of drugs introduced to the market for the treatment of type2 diabetes. The six designed compounds were docked into DPP-IV catalytic sites to identify their binding poses and compare it with the standard drug pose in the crystal structure.

Results

Conclusion