天然产物研究与开发 ›› 2020, Vol. 32 ›› Issue (6): 909-919.doi: 10.16333/j.1001-6880.2020.6.002

所属专题: No.1

• 专题研究 • 上一篇    下一篇

化湿败毒方治疗新型冠状病毒肺炎的药理学机制探讨和网络药理学研究

赖庆来,梁爱武*,何妙仪,黄小玉,吴伟泳   

  1. 广西中医药大学附属瑞康医院,南宁 530011

  • 出版日期:2020-06-28 发布日期:2020-07-06
  • 基金资助:
    广西中医药民族医药科研课题(合同号:GZZC16-23);广西中医药大学附属瑞康医院中医名医工程建设项目(院字[2019]18号)

Pharmacological mechanism and network pharmacology research of Huashibaidu formula in treating COVID-19

LAI Qing-lai,LIANG Ai-wu*,HE Miao-yi,HUANG Xiao-yu,WU Wei-yong   

  1. Ruikang Hospital Affiliated to Guangxi University of traditional Chinese Medicine,Nanning 530011,China

  • Online:2020-06-28 Published:2020-07-06

摘要:

本文旨在探讨化湿败毒方治疗COVID-19的现代药理学研究并运用网络药理学方法预测化湿败毒方治疗COVID-19的作用机制。通过查阅文献及临床报道,总结化湿败毒方治疗COVID-19现代药理学研究。通过TCMSP数据库获取化湿败毒方的主要活性化合物及对应靶点并利用GeneCards数据库获取COVID-19的疾病靶点。使用STRING数据库构建蛋白互作网络并对核心靶点进行GO富集和KEGG通路分析,利用Cytoscape3.7.0软件构建化合物-靶标网络。最后把主要核心化合物与SARS-CoV-2 3CL水解酶及ACE2受体进行分子对接。现代药理学研究表明,化湿败毒方有抗炎、抗病毒和调节免疫作用。结果筛选到261个中药靶点,251个疾病相关靶点,药物和疾病靶点取交集得到关键靶点49个。GO富集包括1 547条生物过程、29条细胞组分以及86项分子功能,KEGG通路富集得156条通路与COVID-19相关(P<0.05),涉及卡波西氏肉瘤相关疱疹病毒感染、人巨细胞病毒感染、甲型流感、IL-17通路、TNF通路、AGE-RAGE通路等相关通路。预测出主要的核心化合物有槲皮素、木犀草素、山奈酚、汉黄芩素、柚皮素、β-谷甾醇、黄芩素等,在整个网络中发挥着关键作用。分子对接结果显示槲皮素、木犀草素、山奈酚与3CL水解酶和ACE2均有较好的结合。本研究较为全面揭示了化湿败毒方治疗COVID-19“多成分、多靶点、多通路”的特点,为深入探讨化湿败毒方治疗COVID-19的作用机制提供参考依据。

关键词: 化湿败毒方, 新型冠状病毒肺炎, 现代药理学, 网络药理学, 作用机制

Abstract:

This article aims to explore the modern pharmacological study of Huashibaidu formula in treating COVID-19 and apply the network pharmacology method to predict the mechanism of Huashibaidu formula in treating COVID-19.In order to summarize the modern pharmacological study of Huashibaidu formula in the treatment of COVID-19,the literature and clinical reports.were consulted.In order to obtain the main active compounds and corresponding targets of Huashibaidu formula,the TCMSP database was applied.The Gene Cards database was used to obtain the disease targets of COVID-19.The STRING database was used to construct protein interaction networks and the core targets were subjected to GO enrichment and KEGG pathway analysis.Cytoscape3.7.0 software was used to construct compound-target networks.The core compound was molecularly docked with SARS-CoV-2 3CL hydrolase and ACE2 receptor.The modern pharmacological studies have shown that Huashibaidu formula have the effect of anti-inflammatory,anti-viral and immune-modulating.261 traditional Chinese medicine targets,251 disease-related targets and 49 key targets were obtained by the intersection of drugs and disease targets.GO enrichment includes 1 547 biological processes,29 cellular components and 86 molecular functions.KEGG pathway enrichment resulted in 156 pathways related to COVID-19 (P<0.05),involving Kaposis sarcoma-associated herpes virus infection,human cytomegalovirus infection,influenza A,IL-17 pathway,TNF pathway,AGE- RAGE pathway and other pathways.It is predicted that the main core compounds are quercetin,luteolin,kaempferol,begonin,naringenin,β-sitosterol,baicalein,etc.,which play a key role in the entire network.The results of molecular docking showed that quercetin,luteolin,kaempferol had a good combination with 3CL hydrolase and ACE2.This study reveals the characteristics of "Huashibaidu formula " in treating COVID-19 "multi-component,multi-target,multi-channel",which provide a reference for in-depth discussion of the mechanism of action of Huashibaidu Decoction in the treatment of COVID-19.

Key words: Huashibaidu formula, COVID-19, pharmacology, network pharmacology, mechanism

中图分类号:  R285