Decoding of novel umami-enhancing peptides from Hericium Erinaceus and its mechanisms by virtual screening, multisensory techniques, and molecular simulation approaches.

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Citation abstract

This study applied integrated sensory-guided, ultrafiltration fractionation, machine learning and bioinformatics approaches to identify peptides that enhance umami in Hericium erinaceus, investigate their mechanisms of action. An integrated virtual screening approach was employed to identify eight candidate umami peptides, which were subsequently assessed for their umami-enhancing effect through sensory evaluation and electronic tongue. Among these candidates, four umami-enhancing peptides (WGDAP, DGFE, GGLDP, and NPPGDF) significantly enhanced both the intensity and duration of saltiness perception in 3 mg/mL monosodium glutamate (MSG) solutions and exhibiting synergistic or additive effects. Molecular docking analysis revealed that these umami-enhancing peptides enhanced the interaction between MSG and the T1R1/T1R3 receptor complex, improving binding affinity. Furthermore, molecular dynamics simulations confirmed that these umami-enhancing peptides stabilized and strengthened MSG binding to the T1R1/T1R3 complex. Overall, this study provides a methodologies for rapidly identifying umami-enhancers and deepens our understanding of taste modulation by umami compounds from Hericium erinaceus.