bioRxivPharmacology & ToxicologyPreprint
Computationally Guided Design of Dipeptidyl Peptidase-4 Inhibitors
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.
Reproducibility ledger
Nobody has reported trying to reproduce this paper yet. Did you replicate an experiment or run the code? Your report saves the next lab a week.
Sign in to file a reproducibility report.
Related papers
- NeSyDPP4-QSAR: A Neuro-Symbolic AI Approach for Potent DPP-4-Inhibitor Discovery in Diabetes Treatment
Delower Hossain, Ehsan Saghapour, Jake Y. Chen·bioRxiv·Mar 31, 2025
- In vitro and in silico analysis proving DPP4 inhibition and diabetes associated gene network modulation by a polyherbal formulation - Nisakathakadi Kashaya.
Anjana Thottappillil, Sthitaprajna Sahoo, … Chethala N. Vishnuprasad·bioRxiv·Jul 15, 2022
- DexDesign: A new OSPREY-based algorithm for designing de novo D-peptide inhibitors
Nathan Guerin, Henry Childs, … Bruce Randall Donald·Lecture notes in computer sciencePeer-reviewed·Jan 1, 2024
- Antidiabetic effect of 1-deazapurines derivatives with alpha-glucosidase Enzyme: A molecular tools approach
F. BOUKLI HACENE, S. A. Cherrak, … S. Ghalem·bioRxiv·Feb 20, 2024
- StructuralDPPIV: A novel deep learning model based on atom-structure for predicting dipeptidyl peptidase-IV inhibitory peptides
Ding Wang, Junru Jin, … Leyi Wei·BioinformaticsPeer-reviewed·Jan 29, 2024
- Rational design by structural biology of industrializable, long-acting antihyperglycemic GLP-1 receptor agonists
L. Sun, Z.-M. Zheng, … P. Wang·bioRxiv·Apr 11, 2022