Chen Jian, Li Yuhan, Lu Yanbin, Dai Zhiyuan, Li Huan
Food Safety Key Laboratory of Zhejiang Province, School of Food Science and Biotechnology, Zhejiang Gongshang University, Hangzhou 310018, P. R. China.
Collaborative Innovation Center of Seafood Deep Processing, Zhejiang Province Joint Key Laboratory of Aquatic Products Processing, Institute of Seafood, Zhejiang Gongshang University, Hangzhou 310018, P. R. China.
J Agric Food Chem. 2025 May 28;73(21):12929-12939. doi: 10.1021/acs.jafc.5c03722. Epub 2025 May 19.
is a commercially significant shellfish, highly regarded for its umami taste. In this study, umami taste peptides in were isolated and characterized through virtual screening, molecular docking, molecular dynamics simulations, sensory evaluation, and electronic tongue assessment. In silico enzymatic hydrolysis of myosin was performed, enabling the selection of six potential umami peptides (CR, ACR, GAR, PDL, PDPN, and SDADCF) based on predictions of umami taste, biological activity, toxicity, and water solubility. The interaction mechanisms between these peptides and the umami receptor T1R1/T1R3 were analyzed through molecular docking and dynamics simulations, revealing that SDADCF exhibited the most stable binding with T1R1/T1R3. The key residues of Asp, His, Glu, and Ser in T1R1 and T1R3 were identified as crucial active sites for umami peptide binding. Hydrogen bonding and electrostatic interactions were found to be the primary forces driving this binding. Furthermore, the umami taste of these peptides was validated using sensory evaluation, indicating that SDADCF had the most intense umami taste (umami score of 5.8) and a threshold of 0.25-0.99 mmol/L for the six peptides. Electronic tongue analysis further recognized the umami taste of the peptides. The identification of these six umami peptides contributes to a deep molecular basis of the strong umami taste within .
是一种具有商业价值的贝类，因其鲜味而备受推崇。在本研究中，通过虚拟筛选、分子对接、分子动力学模拟、感官评价和电子舌评估，对[贝类名称未给出]中的鲜味肽进行了分离和表征。对[贝类名称未给出]肌球蛋白进行了计算机酶解，基于鲜味、生物活性、毒性和水溶性预测，筛选出六种潜在的鲜味肽（CR、ACR、GAR、PDL、PDPN和SDADCF）。通过分子对接和动力学模拟分析了这些肽与鲜味受体T1R1/T1R3之间的相互作用机制，发现SDADCF与T1R1/T1R3的结合最稳定。确定了T1R1和T1R3中Asp、His、Glu和Ser的关键残基是鲜味肽结合的关键活性位点。发现氢键和静电相互作用是驱动这种结合的主要力量。此外，通过感官评价验证了这些肽的鲜味，表明SDADCF的鲜味最强（鲜味评分为5.8），六种肽的阈值为0.25 - 0.99 mmol/L。电子舌分析进一步识别了这些肽的鲜味。这六种鲜味肽的鉴定有助于深入了解[贝类名称未给出]中强烈鲜味的分子基础。
