Chang Rui, Zhou Zhilei, Dong Yong, Xu Yuezheng, Ji Zhongwei, Liu Shuangping, Mao Jian
National Engineering Research Center of Cereal Fermentation and Food Biomanufacturing, School of Food Science and Technology, Jiangnan University, Wuxi 214122, China.
Jiangnan University (Shaoxing) Industrial Technology Research Institute, Shaoxing 312000, China.
Foods. 2023 Sep 11;12(18):3398. doi: 10.3390/foods12183398.
Huangjiu is rich in low-molecular-weight peptides and has an umami taste. In order for its umami peptides to be discovered, huangjiu was subjected to ultrafiltration, ethanol precipitation, and macroporous resin purification processes. The target fractions were gathered according to sensory evaluation. Subsequently, we used peptidomics to identify the sum of 4158 peptides in most umami fractions. Finally, six novel umami peptides (DTYNPR, TYNPR, SYNPR, RFRQGD, NFHHGD, and FHHGD) and five umami-enhancing peptides (TYNPR, SYNPR, NFHHGD, FHHGD, and TVDGPSH) were filtered via virtual screening, molecular docking, and sensory verification. Moreover, the structure-activity relationship was discussed using computational approaches. Docking analysis showed that all umami peptides tend to bind with T1R1 through hydrogen bonds and hydrophobic forces, which involve key residues HIS71, ASP147, ARG151, TYR220, SER276, and ALA302. The active site calculation revealed that the positions of the key umami residues D and R in the terminal may cause taste differences in identified peptides.
黄酒富含低分子量肽，具有鲜味。为了发现其鲜味肽，对黄酒进行了超滤、乙醇沉淀和大孔树脂纯化处理。根据感官评价收集目标馏分。随后，我们使用肽组学鉴定了大多数鲜味馏分中4158种肽的总和。最后，通过虚拟筛选、分子对接和感官验证筛选出6种新型鲜味肽（DTYNPR、TYNPR、SYNPR、RFRQGD、NFHHGD和FHHGD）和5种鲜味增强肽（TYNPR、SYNPR、NFHHGD、FHHGD和TVDGPSH）。此外，使用计算方法讨论了结构-活性关系。对接分析表明，所有鲜味肽都倾向于通过氢键和疏水作用力与T1R1结合，涉及关键残基HIS71、ASP147、ARG151、TYR220、SER276和ALA302。活性位点计算表明，末端关键鲜味残基D和R的位置可能导致所鉴定肽的味道差异。
