采用计算机模拟技术评估花生蛋白作为新冠疫情期间营养补充剂的潜力  

Computer Evaluation of the Potential of Protein from Arachis hypogaea as A Nutritional Supplement during COVID-19 Pandemic

作　　者：周贤敏 区灿盛 邓森荣 杨赛亚 张学武[2] 曾巧辉 ZHOU Xianmin;OU Cansheng;DENG Senrong;YANG Saiya;ZHANG Xuewu;ZENG Qiaohui(College of Food Science and Engineering,Foshan University,Foshan 528225,China;College of Food Science and Engineering,South China University of Technology,Guangzhou 510640,China)

机构地区：[1]佛山科学技术学院食品科学与工程学院,广东佛山528225 [2]华南理工大学食品科学与工程学院,广东广州510640

出　　处：《现代食品科技》2021年第12期104-111,共8页Modern Food Science and Technology

基　　金：广东省基础与应用基础研究基金项目(2020A1515110326)。

摘　　要：该研究探讨了花生蛋白作为新冠疫情期间营养补充剂的潜力。首先,对花生蛋白的分类进行简要综述,筛选出花生中含有的代表性蛋白(Ara h1、Ara h2、Ara h3、Ara h6、伴花生球蛋白A和伴花生球蛋白B),同时通过计算机模拟胃肠道蛋白酶对上述6种花生蛋白进行水解,得到了大量的活性肽,然后,将活性肽与SARS-CoV-2 M^(pro)进行对接,从而评估上述6种花生蛋白与SARS-CoV-2 M^(pro)的结合能力。结果表明,上述6种花生蛋白的水解度均在34.97%~38.11%,其中Arah2与SARS-CoV-2 M^(pro)的结合效果最佳(F值>6.67%),其次是Ara h6(F=4.73%);此外,寡肽PCAQR、CQSQL、PCEQH、IQQGR与SARS-CoV-2 M^(pro)的结合效果较好(对接分数≤-140)。综上所述,在疫情期间补充花生蛋白可能对新冠病毒潜在感染者有帮助,所鉴定的寡肽有潜力成为新冠病毒的抑制剂。The potential of Arachis hypogaea protein as a nutritional supplement during the pandemic of COVID-19 was studied.First of all,the classification of Arachis hypogaea proteins was briefly reviewed,and the representative Arachis hypogaea proteins(Ara h1,Ara h2,Ara h3,Ara h6,conarachin A and conarachin B)were selected.At the same time,six common Arachis hypogaea proteins were hydrolyzed by computer-simulated gastrointestinal protease,and a large number of active peptides were obtained.Then,the active peptides were docked with SARS-CoV-2 M^(pro) to evaluate their binding ability of the six Arachis hypogaea proteins.Results showed that the degree of hydrolysis of the six Arachis hypogaea proteins ranged from 34.97%to 38.11%,and Ara h2 possessed the best binding effect with SARS-CoV-2 M^(pro) (F>6.67%),followed by Ara h6(F=4.73%).In addition,oligopeptides PCAQR,CQSQL,PCEQH and IQQGR were proved to possess good binding effect with SARS-CoV-2 M^(pro)(docking fraction≤-140).In summary,supplementation of Arachis hypogaea protein during COVID-19 pandemic may be helpful for potential SARS-CoV-2 infection,and the identified oligopeptides have the potential to become inhibitors of SARS-CoV-2.

关 键 词：新冠病毒主蛋白酶 计算机模拟 花生蛋白 营养补充 

分 类 号：TP391.9[自动化与计算机技术—计算机应用技术] TS201.21[自动化与计算机技术—计算机科学与技术]