Discovery of novel umami-enhancing peptides in through multi-level virtual screening, multisensory evaluation, electronic tongue, and molecular simulation.

This study utilized integrated sensory-guided, machine learning, and bioinformatics strategies identify umami-enhancing peptides from , investigated their mechanism of umami enhancement, and confirmed their umami-enhancing properties through sensory evaluations and electronic tongue. Three umami-enhancing peptides (APDGLPTGQ, SDDGFQ, and GLGDDL) demonstrated synergistic/additive effects by significantly enhancing umami intensity and duration in monosodium glutamate (MSG). Furthermore, molecular docking showed that these umami-enhancing peptides enhanced both the binding affinity and interaction forces between MSG and the T1R1/T1R3 receptor system, thereby enhancing umami perception. Molecular dynamics simulations further indicated that the presence of umami-enhancing peptides stabilized the binding of MSG to T1R1/T1R3, primarily via hydrogen bonding and hydrophobic interactions. These findings clarified the mechanism by which umami-enhancing peptides potentiate umami and suggested new strategies for reducing MSG and sodium intake, while expanding the repertoire of umami peptides derived from edible mushrooms.