[1]张维芯,周青,戴国梁,等.基于SARS-CoV-2关键蛋白ACE2探索“葛根-柴胡”治疗COVID-19的潜在机制[J].西部中医药,2022,35(05):1-8.[doi:10.12174/j.issn.2096-9600.2022.05.01]
　ZHANG Weixin,ZHOU Qing,DAI Guoliang,et al.The Potential Mechanism of “Gegen-Chaihu” in the Treatment of COVID-19 Based on SARS-CoV-2 Target Protein ACE2[J].Western Journal of Traditional Chinese Medicine,2022,35(05):1-8.[doi:10.12174/j.issn.2096-9600.2022.05.01]
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基于SARS-CoV-2关键蛋白ACE2探索“葛根-柴胡”治疗COVID-19的潜在机制

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
35
期数:
2022年05期
页码:
1-8
栏目:
出版日期:
2022-05-15

文章信息/Info

Title:
The Potential Mechanism of “Gegen-Chaihu” in the Treatment of COVID-19 Based on SARS-CoV-2 Target Protein ACE2
作者:
张维芯, 周青, 戴国梁, 邹建东, 寇建秋
江苏省中医院，江苏 南京 210029
Author(s):
ZHANG Weixin, ZHOU Qing, DAI Guoliang, ZOU Jiandong, KOU Jianqiu
Jiangsu Province Hospital of Chinese Medicine, Nanjing 210029, China
关键词:
新型冠状病毒; 网络药理学; 血管紧张素转换酶2; 葛根; 柴胡
Keywords:
COVID-19; network pharmacology; ACE2
分类号:
R373
DOI:
10.12174/j.issn.2096-9600.2022.05.01
文献标志码:
A
摘要:
目的基于新型冠状病毒（Severe Acute Respiratory Syndrome Coronavirus 2，SARS-CoV-2）靶蛋白血管紧张素转化酶2（Angiotensin-converting enzyme 2，ACE2）探索“葛根-柴胡”治疗新型冠状病毒肺炎（Corona Virus Disease 2019，COVID-19）的潜在机制及可能性。 方法参考青岛海洋科学与技术试点国家实验室提供的COVID-19药物靶标蛋白，借助中药系统药理学分析平台（TCMSP）筛选“葛根-柴胡”活性成分及靶标蛋白；通过富集分析预测其作用机制；将“葛根-柴胡”主要活性成分与Spike-RBD、ACE2和Mpro进行分子对接验证；通过《中医方剂大辞典》筛选“葛根-柴胡”主治症候群。 结果“葛根-柴胡”活性成分与ACE2直接/间接作用蛋白的交集靶点共3个；葛根素与Spike-RBD、ACE2有较好的结合能力；《中医方剂大辞典》收录“葛根-柴胡”治疗外感、温病、瘟疫、疫病方剂共110首，其主治症候频次以恶寒、无汗、头痛、身热最高。 结论“葛根-柴胡”具有治疗COVID-19的潜在可能性，其相关机制可能涉及其活性成分葛根素与Spike-RBD、ACE2、Mpro对接，间接干扰SARS-CoV-2与ACE2蛋白结合。
Abstract:
ObjectiveTo explore the potential mechanism and the possibility of “Gegen-Chaihu” in the treatment of COVID-19 on the foundation of SARS-CoV-2 target protein ACE2. MethodsBy consulting COVID-19 drug target proteins provided by pilot national laboratory for marine science and technology (Qingdao), the active ingredients and target protein of “Gegen-Chaihu” were screened via TCMSP, the mechanism was predicted by enrichment analysis, the main active ingredients of “Gegen-Chaihu” were verified by molecular docking with Spike-RBD, ACE2 and Mpro; the primary indications of “Gegen-Chaihu” were screened through the dictionary of TCM prescriptions. ResultsThere were three intersection targets of the active ingredients of “Gegen-Chaihu” and ACE2 direct/indirect action protein; puerarin had better binding ability to Spike-RBD and ACE2; the dictionary of TCM prescriptions included 110 prescriptions containing “Gegen-Chaihu” in the treatment of exogenous, febrile, pestilence and epidemic disease, and its indications of chills, no sweating, headache and general fever were in the highest frequency. Conclusion“Gegen-Chaihu” have the potential to treat COVID-19, and its relevant mechanism may involve the docking of puerarin with Spike-RBD, ACE2 and Mpro, indirectly interfering with the binding of SARS-CoV-2 to ACE2 protein.

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备注/Memo

备注/Memo:
张维芯（1984—），男，硕士学位，高级工程师。研究方向：大数据分析及中医药信息数据挖掘。
更新日期/Last Update: 2022-06-24