AI-Driven Rapid Screening and Characterization of Dipeptidyl Peptidase-IV (DPP-IV) Inhibitory Peptides from Goat Blood Proteins: An Integrative In Silico and Experimental Strategy.

ABSTRACT: To enhance the screening efficiency of bioactive peptides, an AI-driven approach was employed to screen DPP-IV inhibitory peptides from goat blood proteins by an integrated in silico, in vitro, and machine learning strategy. Furthermore, the inhibitory mechanism of DPP-IV inhibitory peptides was elucidated by kinetics, molecular docking and simulation. Additionally, their in vitro digestive stability was assessed. In silico results revealed that goat blood proteins were promising precursors of DPP-IV inhibitory peptides, while bromelain was the optimal protease. Their peptide sequences were further identified by peptidomics and predicted by self-developed machine learning models (LightGBM) to identify the potent DPP-IV inhibitory peptides. Two novel DPP-IV inhib

SUBMITTER: Tan J 

PROVIDER: S-EPMC12840617 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature