The purpose of this study was to screen and verify salt-enhancing peptides that can effectively reduce sodium consumption from Largemouth bass myosin through virtual hydrolysis, molecular simulation, and sensory evaluation. The human transmembrane channel-like 4 (TMC4) was constructed using Alphafold2, with 93.3 % of amino acids falling within allowed regions. A total of 19 peptides were predicted through virtual hydrolysis and screening. DAF, QIF, RPAL, and IPVM significantly enhanced the saltiness perception, and QIF exhibited the most pronounced effect in enhancing saltiness ( P < 0.05). The residues Ala258, Ser546, Ser603, Phe259, Cys265, Glu539, Lys278 and Ser585 were identified as key binding sites. The TMC4-DAF complex achieved stability after 20, 000 ps, exhibiting an average RMSD value of 0.84 nm. DAF consistently displayed fluctuations at approximately 3.05 nm, and the number of hydrogen bonds varied between 3 and 5. These results suggested that Alphafold2 modelling can be used for predicting salt-enhancing peptides.
Baifeng Fu,Minbo Li,Zhihui Chang,Junjie Yi,Shuzhen Cheng,Ming Du
Excessive sodium consumption poses considerable health risks, prompting the exploration of umami peptides as potential alternative for reducing sodium intake. This research investigated umami peptides (PQFAPEED, EEHPVLLTEA and DQAIPNKPEE) using machine learning, determining sensory thresholds to be 0.24, 0.30 and 0.29 mg/mL. Molecular docking studies revealed hydrogen bonds and hydrophobic interactions are vital for their binding to umami receptors T1R1/T1R3, with key residues identified as Val714, Leu852, Gln853 and Glu855. Combination of DQAIPNKPEE with 3 mg/mL sodium chloride (NaCl) closely mimicked the salinity perception of 5 mg/mL NaCl. Additionally, DQAIPNKPEE and PQFAPEED were recognised as salt-enhancing peptides, with Ala283, Glu284, Glu286, Arg294, Arg330 and Arg583 identified as critical amino acid residues of human transmembrane channel-like 4 (TMC4). These peptides substitute chloride ions to activate TMC4, resulting in sensation of saltiness. This study highlights efficacy of machine learning in rapid identification of umami peptides from oysters and taste receptors interactions.
危险品化学品经营许可证（带存储）