大豆多肽中α-葡萄糖苷酶和α-淀粉酶抑制剂的虚拟筛选及体外活性验证
Virtual Screening of α-glucosidase and α-amylase Inhibitors from Soybean Peptides and Its Activity Validation in Vitro
薛森 1吴敬凡 1曹淑芳 1白淼 1朱丹实 1刘贺 1杨立娜1
作者信息
- 1. 渤海大学食品科学与工程学院 辽宁锦州 121000
- 折叠
摘要
目的:通过抑制碳水化合物消化酶的活性延缓碳水化合物的消化,来预防和控制糖尿病的作用已经成为多领域的研究热点.β-伴大豆球蛋白是大豆蛋白中含量最高的功能性蛋白,但其胃肠道消化后产生的多肽是否具有抑制碳水化合物消化酶的活性还不得而知.方法:将β-伴大豆球蛋白进行胃肠道模拟消化,通过虚拟筛选和ADMET预测选出α-葡萄糖苷酶抑制肽和α-淀粉酶抑制肽,检测多肽对α-葡萄糖苷酶和α-淀粉酶的抑制作用.结果:通过胃酶、胰酶和糜蛋白酶将β-伴大豆球蛋白虚拟酶解成95个小分子多肽;筛选出8个α-葡萄糖苷酶抑制肽和α-淀粉酶抑制肽;发现氢键和静电相互作用在多肽与α-葡萄糖苷酶和α-淀粉酶结合中起重要作用;体外验证发现四肽EASY具有较强α-葡萄糖苷酶抑制效果,其IC50值为208.6 μg/mL,未发现明显α-淀粉酶抑制效果.结论:α-葡萄糖苷酶抑制肽EASY具有抑制碳水化合物消化酶的活性,可能成为控制糖尿病的潜在抑制剂.
Abstract
The objective:To delay the digestion of carbohydrates by inhibiting the activity of carbohydrate digestive en-zymes,thereby preventing and controlling the effects of diabetes has become a research hotspot across multiple fields.β-Conglycinin is the most abundant functional protein in soy protein,but it is unknown whether the peptides produced af-ter gastrointestinal digestion possess the activity to inhibit carbohydrate digestive enzymes.Method:β-Conglycinin was subjected to simulated gastrointestinal digestion,and α-glucosidase inhibitory peptides and α-amylase inhibitory peptides were selected through virtual screening and ADMET prediction,and the inhibitory effects of the peptides on α-glucosi-dase and α-amylase were tested.Results:β-Conglycinin was virtually digested into 95 small molecular peptides by pepsin,trypsin,and chymotrypsin;eight α-glucosidase inhibitory peptides and α-amylase inhibitory peptides were select-ed;it was found that hydrogen bonds and electrostatic interactions play an important role in the binding of peptides withα-glucosidase and α-amylase;in vitro verification found that the tetrapeptide EASY has a strong inhibitory effect on α-glucosidase,with an IC50 value of 208.6 μg/mL,and no obvious inhibitory effect on α-amylase was observed.Conclu-sion:The α-glucosidase inhibitory peptide EASY possesses the activity to inhibit carbohydrate digestive enzymes and may become a potential inhibitor for controlling diabetes.
关键词
大豆多肽/α-葡萄糖苷酶/α-淀粉酶/虚拟筛选/抑制活性Key words
soybean peptides/α-glucosidase/α-amylase/virtual screening/inhibitory activity引用本文复制引用
出版年
2024
NETL
NSTL
万方数据