Through virtual screening, electronic tongue verification, and molecular docking technology, the structure-taste activity relationship of 47 kinds of umami peptides (octapeptide - undecapeptide) from Stropharia rugosoannulata prepared by simultaneous ultrasonic-assisted directional enzymatic hydrolysis was analyzed. The umami peptides of S.rugosoannulata can form hydrogen bond interaction and electrostatic interaction with umami receptors T1R1/T1R3. The amino acid residues at the peptides' N-terminal and C-terminal play a vital role in binding with the receptors to form a stable complex. D, E, and R are the primary amino acids in the peptides that easily bind to T1R1/T1R3. The basic amino acid in the peptides is more easily bound to T1R1, and the acidic amino acid is more easily bound to T1R3. The active amino acid sites of the receptors to which the peptides bind account for 42%−65% of the total active amino acid residues in the receptors. ASP147 and ASP219 are the critical amino acid residues for T1R1 to recognize the umami peptides, and ARG64, GLU45, and GLU48 are the critical amino acid residues for T1R3 to recognize the umami peptides. The increase in the variety and quantity of umami peptides is the main reason for improving the umami taste of the substrate prepared by synchronous ultrasound-assisted directional enzymatic hydrolysis. This study provides a theoretical basis for understanding simultaneous ultrasound-assisted directional enzymatic hydrolysis for preparing umami peptides from S.rugosoannulata, enhancing the flavor of umami, and the relationship between peptide structure and taste activity.

通过虚拟筛选、电子舌验证和分子对接技术，对超声辅助定向酶解同时制备的大球盖菇47种鲜味肽（八肽-十一肽）的构味活性关系进行了分析。S.rugosoannulata的鲜味肽可与鲜味受体 T1R1/T1R3 形成氢键相互作用和静电相互作用。多肽N处的氨基酸残基-末端和C-末端在与受体结合形成稳定的复合物中起着至关重要的作用。D、E 和 R 是肽中的主要氨基酸，很容易与 T1R1/T1R3 结合。多肽中的碱性氨基酸更容易与T1R1结合，酸性氨基酸更容易与T1R3结合。多肽结合的受体活性氨基酸位点占受体活性氨基酸残基总数的42%-65%。ASP147和ASP219是T1R1识别鲜味肽的关键氨基酸残基，ARG64、GLU45和GLU48是T1R3识别鲜味肽的关键氨基酸残基。鲜味肽种类和数量的增加是提高同步超声辅助定向酶解制备底物鲜味的主要原因。本研究为理解同步超声辅助定向酶水解制备鲜味肽提供了理论基础。S.rugosoannulata，增强鲜味，以及肽结构与味觉活性的关系。