Novel dual-taste umami and salty peptides from goat whey: Mechanism and interaction with taste receptors.

Goat whey was analyzed using machine learning and peptidomics to identify umami and salty peptides. Of the 42 candidates tested, four peptides (AD-7, GA-8, PL-9 and GQ-10) exhibited both umami and salty characteristics with low taste thresholds (0.20-0.25 mmol/L). Molecular docking revealed that these peptides bind to the T1R1/T1R3 umami receptor via hydrogen bonds involving key residues such as ALA176, ASN150, LYS155, GLN222, Asp219 and LYS5, with acidic residues enhancing umami perception. For saltiness, they bind to TMC4 through electrostatic and hydrogen bonding networks and to TRPV1 through hydrophobic interactions involving Leu, Phe, and Met. Molecular dynamics simulations confirmed stable complex formation with all three receptors. Non-targeted metabolomics identified 199 metabolites, including betaine, contributing to savoury flavor. These findings establish goat whey as a sustainable source of natural taste-active compounds and provide a scientific basis for its utilisation in flavourings, thus reducing waste and the environmental impact of cheese production.