Unraveling novel umami peptides in Hericium erinaceus and its umami mechanism by ion exchange chromatography, peptidomics and molecular dynamics simulations.

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Citation abstract

Efficient enrichment of umami peptides is crucial for their industrial application. Statistical analysis of 353 known umami peptides revealed that approximately 80 % possess net negative charges, a property exploited by ion exchange purification for targeted capture and elution. Using Hericium erinaceus (HE) as a representative edible fungus, this study integrated anion-exchange chromatography, peptidomics, and virtual screening to identify novel umami peptides. Five novel umami peptides (FDALR, DDVLLR, KFDDVVR, LELVSDVK, HLGDLVDLK) were identified, with umami thresholds ranging from 0.142 to 0.554 mmol/L. Mmolecular docking and dynamics simulations indicated that hydrogen bonds and electrostatic interactions were the main forces between umami peptides and the T1R1/T1R3 receptors. The main active sites of T1R3 were Glu277, Ser123, Ser146 and His121. KFDDVVR, with the lowest umami threshold, could form a stable complex with the T1R1/T1R3 receptors. This work demonstrates that anion-exchange chromatography is an effective strategy for purifying umami peptides. The findings not only provide a theoretical basis for umami peptide development from HE but also establish a practical approach for their discovery from natural sources.