[关键词]
[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 Mpro进行对接,从而评估上述6种花生蛋白与SARS-CoV-2 Mpro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 Mpro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 Mpro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。
[Key word]
[Abstract]
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 Mpro 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 Mpro (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 Mpro (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.
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[基金项目]
广东省基础与应用基础研究基金项目(2020A1515110326)