This paper investigated umami hexapeptides derived from myosin of Atlantic cod (Gadus morhua) using homology modelling, molecular docking, taste evaluation and e-tongue verification. After hydrolysing and prediction in silico, potential bioactivity, toxicity and physicochemical properties of 48 hexapeptides were predicted. Five hexapeptides were selected to dock with the T1R1-T1R3 homology model which was built with SWISS-MODEL. Docking results showed that the five hexapeptides could enter the docking region, and INKPGL, SDSCIR and GPDPER had the lowest CDOKER_ENERGY. E-tongue result showed that the umami and richness value of all the three hexapeptides in 0.4 mg mL 脌1 were higher than a 0.1% MSG solution. Sensory evaluation result showed that INKPEL had the strongest umami taste among the three hexapeptides and the umami threshold value was 0.25 mg mL 脌1. These results suggested that homology modelling can be used for predicting umami peptides, and three umami hexapeptides were identified by in silico screening.
BACKGROUND: Fish sauce has a subtle flavor with prominent umami and salty taste, and is accompanied by a certain sweetness and bitterness. In order to identify a wider range of umami peptides, Chinese southern and northern anchovy sauce were selected for the study. RESULTS: Seventeen peptides were obtained by separation and purification, and their taste activity was predicted. Through the taste characterization and descriptive analysis, it was found that the synthesized peptides were umami and umami-enhancing peptides. Seventeen umami peptides were simulated and embedded into the umami receptor T1R1/T1R3 by inserting into the Venus flytrap domain (VFTD) of the T1R3 subunit; the interaction forces were mainly hydrogen bonding, electrostatic interaction, van der Waals force and hydrophobic interaction. According to the docking interaction energies, long-chain peptides may be easier to bind to the receptor than short-chain peptides. Asp196, Glu128 and Glu197 were the main binding sites for docking, and could affect umami synergism. CONCLUSION: For the first time, novel umami peptides in Chinese anchovy sauce have been reported. This study is helpful for discovering umami marine resource peptides, and can provide a basis for further understanding the flavor system of anchovy sauce.
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