大豆中两种新型肽作为α-淀粉酶和α-葡萄糖苷酶抑制剂的虚拟筛选技术

Virtual Screening Technology for Two Novel Peptides in Soybean as Inhibitors of α-Amylase and α-Glucosidase.

作者信息

Tang Xiyao, Chen Xu, Wang Hong, Yang Jinyi, Li Lin, Zhu Jie, Liu Yujia

机构信息

Key Laboratory of Healthy Food Development and Nutrition Regulation of China National Light Industry, School of Life and Health Technology, Dongguan University of Technology, Dongguan 523808, China.

College of Food Science, South China Agricultural University, Guangzhou 510642, China.

出版信息

Foods. 2023 Dec 6;12(24):4387. doi: 10.3390/foods12244387.

Soybean peptides (SPs) have bioactivities of enzyme inhibition that are beneficial to human health, but their mechanism is not clear. This study aimed to identify peptide fragments in SPs that simultaneously inhibit α-amylase and α-glucosidase and to explore their enzyme inhibition mechanism. Firstly, the inhibitory activity of SPs against the enzymes was determined. And two octapeptides, LDQTPRVF and SRNPIYSN, were identified for the first time by using HPLC-QTOF-MS/MS and virtual screening. Molecular simulation results showed that hydrogen bonds and π-π bonds were the key factors, and the N-terminal (Leu and Ser) and C-terminal (Phe) of peptide were important inhibiting sites. Both octapeptides were synthesized, and their IC50 values were 3.08 and 5.58 mmol/L for α-amylase, and 2.52 and 4.57 mmol/L for α-glucosidase, respectively. This study provided evidence for SPs as a potential inhibitor of α-amylase and α-glucosidase in special dietary foods.

大豆肽（SPs）具有酶抑制生物活性，对人体健康有益，但其作用机制尚不清楚。本研究旨在鉴定大豆肽中同时抑制α-淀粉酶和α-葡萄糖苷酶的肽片段，并探索其酶抑制机制。首先，测定了大豆肽对这两种酶的抑制活性。通过高效液相色谱-四极杆飞行时间串联质谱（HPLC-QTOF-MS/MS）和虚拟筛选首次鉴定出两种八肽，即LDQTPRVF和SRNPIYSN。分子模拟结果表明，氢键和π-π键是关键因素，肽的N端（Leu和Ser）和C端（Phe）是重要的抑制位点。合成了这两种八肽，它们对α-淀粉酶的半数抑制浓度（IC50）值分别为3.08和5.58 mmol/L，对α-葡萄糖苷酶的IC50值分别为2.52和4.57 mmol/L。本研究为大豆肽作为特殊膳食用食品中α-淀粉酶和α-葡萄糖苷酶的潜在抑制剂提供了证据。