Computationally Guided Design of Dipeptidyl Peptidase-4 Inhibitors

Reynolds, L. C.; Connolly, M. P.; Siegel, J. B.

doi:10.1101/772137

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bioRxiv · 10.1101/772137

Computationally Guided Design of Dipeptidyl Peptidase-4 Inhibitors

Reynolds, L. C.·Connolly, M. P.·Siegel, J. B.

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Abstract

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.

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Reynolds, L. C., Connolly, M. P., Siegel, J. B.. 2019-09-18. Computationally Guided Design of Dipeptidyl Peptidase-4 Inhibitors. https://doi.org/10.1101/772137

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