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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
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周贤敏(1997-),女,硕士生,研究方向:食品营养与安全,E-mail:jo_xiaoxian@163.com 通讯作者:曾巧辉(1987-),女,博士,讲师,研究方向:食品营养与安全,E-mail:z_qh2011@163.com

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广东省基础与应用基础研究基金项目(2020A1515110326)


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

    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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周贤敏,区灿盛,邓森荣,杨赛亚,张学武,曾巧辉*.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[J].现代食品科技,2021,37(12):104-111.

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  • 收稿日期:2021-04-05
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  • 在线发布日期: 2021-12-28
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