基于网络药理学和分子对接探讨归脾汤治疗免疫性血小板减少症作用机制
Exploration on the Mechanism of Guipi Decoction in Treating Immune Thrombocytopenia Based on Network Pharmacology and Molecular Docking
谷文琪 1杨濛 2翟文生 2宋纯东 2吴静静 2张蒙蒙 1刘丽雅 2李鹏飞 2张秋月 2段永悦 1丁梦圆1
作者信息
- 1. 河南中医药大学儿科医学院,河南 郑州 450046
- 2. 河南中医药大学儿科医学院,河南 郑州 450046;河南中医药大学第一附属医院,河南 郑州 450003
- 折叠
摘要
目的 基于网络药理学和分子对接技术探讨归脾汤治疗免疫性血小板减少症(ITP)的作用机制.方法 检索TCMSP、TCMIP、BATMAN数据库收集归脾汤活性成分和靶点,检索GeneCards、TDD及OMIM数据库获取ITP靶点;借助jvenn、STRING平台获取韦恩和蛋白相互作用(PPI)网络,用Cytoscape构建分析网络,并运用DAVID6.8数据库进行GO功能和KEGG通路富集分析,使用AutoDock进行分子对接.结果 共收集归脾汤活性成分175个,对应靶点491个,疾病靶点1 133个;网络分析结果示TNF等为归脾汤治疗ITP的核心靶点,槲皮素等为关键活性成分.共富集507条GO条目,109条KEGG通路.分子对接结果表明核心活性成分与核心靶点有较好结合活性.结论 归脾汤可能通过槲皮素、山柰酚、β-谷甾醇、刺芒柄花素、异鼠李素等核心活性成分作用于TNF、IL6、IL1B、IL10、IFNG等核心靶点治疗ITP,并通过TNF通路等发挥抗炎及免疫调节作用,本研究可为归脾汤治疗ITP提供了理论依据.
Abstract
Objective To analyze the mechanism of Guipi Decoction(GPD)in treating immune thrombocytopenia(ITP)based on network pharmacology and molecular docking.Methods TCMSP,TCMIP and BATMAN databases were used to collect the active components and targets of GPD.ITP related targets were obtained by GeneCards,OMIM and TTD.The intersection targets of them and protein protein interaction(PPI)network were obtained by jvenn and STRING online platform.Cytoscape was used to construct and analyze the network diagrams,and GO analysis and KEGG pathway enrichment were performed by DAVID database.Molecular docking was carried out by AutoDock.Results GPD included 175 chemical components and 491 targets.1 133 targets of ITP were identified.Network diagram showed that core targets of GPD in treating ITP were TNF,and the key active components were quercetin and so on.There were 507 Go enrichment items and 109 KEGG pathways.The molecular docking results showed that the core active components and the core targets had good binding activity.Conclusion GPD maybe act on TNF,IL6,IL1B,IL10 and IFNG by quercetin,kaempferol,β-sitosterol,fomononetin,and isorhamnetin to play anti-inflammatory and the immune regulation role through TNF signaling pathway ect.,which can provide a theoretical basis for the mechanism of GPT in treating ITP.
关键词
归脾汤/网络药理学/免疫性血小板减少症/靶点/信号通路Key words
Guipi Decoction/network pharmacology/ITP/target/signaling pathway引用本文复制引用
基金项目
河南省中医药管理局课题(20-21ZY3009)
河南省特色骨干学科中医学学科建设项目(STG-ZYXKY-2020015)
河南省卫生健康委国家中医临床研究基地科研专项(2022JDZX025)
出版年
2024
国家科技期刊平台
NSTL
维普
万方数据