基于网络药理学和分子对接技术探讨扶正解毒方治疗社区获得性肺炎的作用机制  

Mechanism of Fuzheng Jiedu Decoction in the Treatment of Community-acquired Pneumonia Based on Network Pharmacology and Molecular Docking

作　　者：贺梦雪 封继宏[2] 吴清原 马悦宁 郭安 张文瑞[1] 孙增涛[1] He Mengxue;Feng Jihong;Wu Qingyuan;Ma Yuening;Guo An;Zhang Wenrui;Sun Zengtao(Tianjin University of Traditional Chinese Medicine,Tianjin 300000,China)

机构地区：[1]天津中医药大学,天津300000 [2]天津中医药大学第二附属医院,天津300000

出　　处：《中国中医急症》2024年第2期194-199,203,共7页Journal of Emergency in Traditional Chinese Medicine

基　　金：“十四五”国家重点研发计划基金项目(2022YFC3500803);天津市高等学校创新团队培养计划资助(TD13-5051);孙增涛天津市名中医工作室。

摘　　要：目的基于网络药理学和分子对接技术探讨扶正解毒方治疗社区获得性肺炎(CAP)可能的作用机制。方法应用TCMSP、UniPort数据库筛选扶正解毒方的药物活性成分及相对应的靶点蛋白;应用GeneCards、OMIM和Disgent数据库中检索出CAP相关靶基因。应用Metascape数据库进行GO富集分析和KEGG通路富集分析;最后通过CB-Dock对网络中度值较高的药物成分与核心作用靶点进行分子对接验证。结果筛选得到扶正解毒方治疗CAP重要活性成分215个,核心靶点113个,确定扶正解毒方治疗CAP的主要通路,分子对接中活性成分与靶点具有较为稳定的结合活性。结论扶正解毒方具有多因素协同调控的作用特点,这为进一步阐明扶正解毒方治疗CAP的作用机制提供了科学思路与依据。Objective:To explore the possible mechanism of Fuzheng Jiedu Decoction in treatment of communityacquired pneumonia(CAP)based on network pharmacology and molecular docking.Methods:The active ingredients and corresponding target proteins of Fuzheng Jiedu Decoction were screened by TCMSP and UniPort data-bases;the target genes of CAP were retrieved from Genecards,OMIM and Disgent databases.GO enrichment analysis and KEGG enrichment analysis of pathway were performed in Metascape database;finally,the drug components with high network values and core targets were verified by CB-Dock.Results:A total of 215 important active components and 113 core targets for the treatment of community-acquired pneumonia were obtained,the main pathway of CAP was identified,and the active components and the target in molecular docking were identified.Conclusion:Fuzheng Jiedu Decoction has the characteristics of multi-factor cooperative regulation,which provides scientific ideas and basis for further clarifying the mechanism of the treatment of CAP.

关 键 词：社区获得性肺炎 扶正解毒方 网络药理学 分子对接技术 

分 类 号：R573.1[医药卫生—消化系统]