通过整合网络药理学方法分析化湿败毒方对重症新型冠状病毒肺炎的潜在治疗机制。
Analyzing the potential therapeutic mechanism of Huashi Baidu Decoction on severe COVID-19 through integrating network pharmacological methods.
作者信息
Zhu Yi-Wei, Yan Xiao-Feng, Ye Ting-Jie, Hu Jing, Wang Xiao-Ling, Qiu Feng-Jun, Liu Cheng-Hai, Hu Xu-Dong
机构信息
Department of Biology, School of Basic Medical Science, Shanghai University of Traditional Chinese Medicine, Shanghai, 201203, People's Republic of China.
Department of Warm Febrile Disease, School of Basic Medical Science, Shanghai University of Traditional Chinese Medicine, Shanghai, 201203, People's Republic of China.
出版信息
J Tradit Complement Med. 2021 Mar;11(2):180-187. doi: 10.1016/j.jtcme.2021.01.004. Epub 2021 Jan 18.
BACKGROUND AND AIM
Huashi Baidu Decoction (HSBD) is a novel complex prescription which has positive effects on severe COVID-19. This study was aimed to discover key Chinese materia medica, main active compounds, hub therapeutic target proteins and core signal pathways in the potential therapeutic mechanism of HSBD on severe COVID-19 through integrating network pharmacological methods.
EXPERIMENTAL PROCEDURE
TCMSP, TCMID and STITCH databases were used to screen out active compounds and target proteins of HSBD. GeneCards database was used to screen out disease genes of severe COVID-19. The potential therapeutic targets of HSBD on severe COVID-19 were used to construct protein-protein interaction network through STRING database and the hub target proteins were discovered. Next, GO and KEGG enrichment analysis were carried out to discover core signal pathways. Finally, the network diagram of "Chinese materia medica-active compounds-therapeutic target proteins" was built, then key Chinese materia medica and main active compounds were selected.
RESULTS AND CONCLUSION
HSBD might treat severe COVID-19 through 45 potential target genes, among them, there were 13 hub target genes: RELA, TNF, IL6, IL1B, MAPK14, TP53, CXCL8, MAPK3, MAPK1, IL4, MAPK8, CASP8, STAT1. Meanswhile, GO_BiologicalProcess and KEGG signaling pathways analysis results showed that the core signal pathways were inflammation and immune regulation pathways. Finally, 4 key Chinese materia medica and 11 main active compounds were discovered in the HSBD. In conclusion, the therapeutic mechanism of HSBD on severe COVID-19 might involve its pharmacological effects of anti-inflammation and immune regulation via acting on 45 disease-related proteins of severe COVID-19.
TAXONOMY CLASSIFICATION BY EVISE
Viral Pneumonia, COVID-19, Acute Respiratory Distress Syndrome, Septic Shock, Chinese Herbal Medicine.
背景与目的
化湿败毒方是一种对重症新型冠状病毒肺炎有积极疗效的新型复方。本研究旨在通过整合网络药理学方法，探寻化湿败毒方治疗重症新型冠状病毒肺炎潜在作用机制中的关键中药、主要活性成分、核心治疗靶点蛋白及核心信号通路。
实验方法
运用中药系统药理学数据库与分析平台（TCMSP）、中医综合数据库（TCMID）及STITCH数据库筛选化湿败毒方的活性成分及靶点蛋白。利用基因卡片数据库（GeneCards）筛选重症新型冠状病毒肺炎的疾病基因。通过STRING数据库，利用化湿败毒方对重症新型冠状病毒肺炎的潜在治疗靶点构建蛋白质-蛋白质相互作用网络，并找出核心靶点蛋白。接着，进行基因本体（GO）和京都基因与基因组百科全书（KEGG）富集分析，以发现核心信号通路。最后，构建“中药-活性成分-治疗靶点蛋白”网络图，筛选出关键中药及主要活性成分。
结果与结论
化湿败毒方可能通过45个潜在靶基因治疗重症新型冠状病毒肺炎，其中有13个核心靶基因：RELA、TNF、IL6、IL1B、MAPK14、TP53、CXCL8、MAPK3、MAPK1、IL4、MAPK8、CASP8、STAT1。同时，GO生物学过程和KEGG信号通路分析结果表明，核心信号通路为炎症和免疫调节通路。最终，在化湿败毒方中发现了4味关键中药及11种主要活性成分。综上所述，化湿败毒方治疗重症新型冠状病毒肺炎的作用机制可能是通过作用于45个与重症新型冠状病毒肺炎相关的疾病蛋白发挥抗炎和免疫调节的药理作用。
EVISE分类法：病毒性肺炎、新型冠状病毒肺炎、急性呼吸窘迫综合征、感染性休克、中草药。
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