Computationally Guided Design of Dipeptidyl Peptidase-4 Inhibitors
The Type 2 Diabetes Mellitus (T2DM) epidemic undoubtedly creates a need for the development of new pharmaceuticals. With the goal of generating new therapeutics for this disease, computational studies were conducted to design novel dipeptidyl peptidase-4 (DPP-4) inhibitors. Two candidates, generated by chemical intuition-driven design and bioisosteric replacement, were found to have better docking scores than anagliptin, a currently available diabetes medication.
pharmacology and toxicology↗