摘要
目的 基于网络药理学及生物信息学探究益气化痰方(黄芪、甘草、党参等)治疗慢性阻塞性肺疾病(COPD)的可能作用机制。方法 通过TCMSP数据库、GEO数据库及OMIM数据库获取益气化痰方治疗COPD的活性成分与潜在靶点;使用Cytoscape 3.7.2软件,构建“中药-活性成分-潜在靶点-疾病”网络并对潜在靶点进行PPI网络拓扑分析;使用Cytoscape 3.7.2软件对潜在靶点进行GO功能富集分析;借助R软件对潜在靶点作KEGG通路富集分析;最后,采用AutoDock Vina 1.5.6软件将活性成分与潜在靶点进行分子对接。结果筛选得到154个益气化痰方活性成分及益气化痰方治疗COPD的潜在靶点19个。“中药-活性成分-潜在靶点-疾病”网络及蛋白互作网络拓扑分析得出主要的潜在靶点有乙酰胆碱酯酶(ACHE)、α1A-肾上腺素受体(ADRA1A)、对氧磷酶1(PON1)、白细胞介素6(IL-6)、白细胞介素10(IL-10)、表皮生长因子受体(EGFR)等;GO功能富集分析涉及过氧化氢代谢过程,活性氧生物合成过程等生物功能;KEGG通路富集分析结果包括低氧诱导因子1(HIF-1)信号通路、叉头盒O(FoxO)信号通路、Janus激酶-转录激活因子(JAK-STAT)信号通路等条目;分子对接结果显示,益气化痰方主要活性成分与潜在靶点均具有较好的结合活性,可形成较为稳定的结合构象。结论 益气化痰方在治疗COPD方面具有多成分、多靶点、多通路的特点,可能通过调节炎症反应、氧化应激和气道黏液分泌等机制发挥治疗作用。
ObjectiveTo explore the possible mechanism of Yiqi Huatan prescription(Radix Astragali seu Hedysari,Radix Glycyrrhizae and Radix Codonopsis,etc.)treating in chronic obstructive pulmonary disease(COPD)based on network pharmacology and bioinformatics.MethodsThe active ingredients and potential targets of Yiqi Huatan prescription in the treatment of COPD were obtained from TCMSP database, GEO database and OMIM database.Cytoscape 3.7.2 software was utilized to build a network of "herb-active ingredient-potential target-disease" and PPI network of the potential targets. GO function enrichment analysis was performed by Cytoscape 3.7.2 software. R software was used to perform KEGG pathway enrichment analysis. Finally, AutoDock Vina 1.5.6 software was applied to construct molecular docking between the active ingredients and potential targets.ResultsA total of 154 active ingredients of Yiqi Huatan prescription were screened. 19 potential targets of Yiqi Huatan prescription against COPD were obtained. The main potential targets, including ACHE, ADRA1 A, PON1, IL-6, IL-10, EGFR,were found from PPI network and “herb-active ingredient-potential target-disease” network. GO function enrichment analysis found hydrogen peroxide metabolic process, reactive oxygen species biosynthetic process and other biological functions. KEGG pathway enrichment analysis identified HIF-1 signaling pathway,FoxO signaling pathway, JAK-STAT signaling pathway, etc. Molecular docking showed that the main active ingredients of Yiqi Huatan prescription had good binding activity with the potential targets. Moreover, a relatively stable binding conformation was found.ConclusionThe study suggests that Yiqi Huatan prescription has the characteristics of multi-ingredient,multi-target and multi-pathway in the treatment of COPD. Yiqi Huatan prescription may play a therapeutic role in COPD by regulating inflammatory response,antioxidant stress and airway mucus secretion.
作者
詹少锋
谢铱子
黄秀芳
庄轰发
郑文江
杨柳柳
刘小虹
ZHAN Shaofeng;XIE Yizi;HUANG Xiufang;ZHUANG Hongfa;ZHENG Wenjiang;YANG Liuliu;LIU Xiaohong(The First Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou 510405 Guangdong,China;The First Clinical Medical College of Guangzhou University of Chinese Medicine,Guangzhou 510405 Guangdong,China;Lingnan Medical Center of Guangzhou University of Chinese Medicine,Guangzhou 510405 Guangdong,China)
出处
《中药新药与临床药理》
CAS
CSCD
北大核心
2022年第3期356-364,共9页
Traditional Chinese Drug Research and Clinical Pharmacology
基金
国家自然科学基金项目(81973814)
广东省自然科学基金项目(2017A030310129)
刘小虹广东省名中医传承工作室建设项目(粤中医办函[2018]5号)
B3-9国家临床医学研究中心建设项目(呼吸科)(2110200309)
广州中医药大学学科提升计划-中医内科学肺病方向。
关键词
益气化痰方
黄芪
甘草
党参
慢性阻塞性肺疾病
网络药理学
生物信息学
分子对接
机制
Yiqi Huatanprescription
Radix Astragali seu Hedysari
Radix Glycyrrhizae
Radix Codonopsis
chronic obstructive pulmonary disease
network pharmacology
bioinformatics
molecular docking
mechanism
