为探究高品质酱油中鲜味肽与主要鲜味受体分子作用关系,该研究合成获得了10种鲜味肽。以感官评价为基础,采用同源建模、分子对接手段研究各鲜味肽与味觉受体第一家族亚型1(taste receptor type 1 member 1,T1R1)、味觉受体第一家族亚型 3(taste receptor type 1 member 3,T1R3)的构效关系。结果表明,谷氨酸-甘氨酸-脯氨酸(glutamic acid-glycine-proline,Glu-Gly-Pro)的呈鲜阈值高于谷氨酸钠阈值(0.3 mg/mL);异亮氨酸-赖氨酸(isoleucine-lysine,Ile-Lys)的呈鲜阈值与谷氨酸钠持平;而其余鲜味小肽的呈鲜阈值均低于谷氨酸钠:其中谷氨酸-甘氨酸-甘氨酸(glutamic acid-glycine-glycine,Glu-Gly-Gly)的呈鲜阈值最低,为0.06 mg/mL。各鲜味肽与T1R1的关键结合位点为其A链上的Asp108、Ser109、Arg180及B链上的Gln52;而在与T1R3对接中,关键结合位点均在A链:具体为His145、Ser147、Gly168和Ser170。各鲜味肽与受体间主要是通过氢键来作用结合,并且其中的疏水键、静电键也能起到稳定构象的效果,特别是在氢键成键位点叠加有后2种键型时,受体-配体复合物构象会更加稳固。该研究有助于阐明酱油源鲜味小肽与鲜味受体间的相互作用机制,为深入研究酱油呈鲜机制奠定基础。
To explore the interaction between umami peptides and the main umami receptors in high-quality soy sauce, this study synthesized 10 umami peptides.Based on sensory evaluation, homology modeling and molecular docking were employed to investigate their structure-activity relationships with taste receptor type 1 member 1 (T1R1) and taste receptor type 1 member 3 (T1R3).The results showed that the umami threshold of glutamic acid-glycine-proline (Glu-Gly-Pro) was higher than that of monosodium glutamate (0.3 mg/mL),the umami threshold of isoleucine-lysine (Ile-Lys) was equal to that of monosodium glutamate,and the umami thresholds of the other umami peptides were all lower than that of monosodium glutamate, with the lowest being glutamic acid-glycine-glycine (Glu-Gly-Gly) at 0.06 mg/mL.The key binding sites of the umami peptides with T1R1 were Asp108, Ser109, Arg180 on chain A and Gln52 on chain B.In docking with T1R3, the key binding sites were all on chain A and the key binding sites were His145, Ser147, Gly168, and Ser170.The peptides mainly interacted with the receptors through hydrogen bonds, and hydrophobic bonds and electrostatic bonds also played an important role in stabilizing the conformation.The receptor-ligand complex conformation was more stable when hydrogen bonds overlapped with the latter two.This study helps to clarify the interaction mechanism between soy sauce-derived umami peptides and umami receptors, and lays the foundation for further research on the umami mechanism of soy sauce.
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