中国中医药图书情报杂志2024，Vol.48Issue(5)：31-37,7.DOI:10.3969/j.issn.2095-5707.202308068
基于网络药理学和分子对接技术探讨翘芩清肺剂治疗慢性阻塞性肺疾病作用机制
Discussion on the Mechanism of Qiaoqin Qingfei Decoction in Treating Chronic Obstructive Pulmonary Disease Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To investigate the mechanism of Qiaoqin Qingfei Decoction in treaing chronic obstructive pulmonary disease(COPD)based on network pharmacology and molecular docking technique.Methods The active components of Qiaoqin Qingfei Decoction and its potential targets for the treatment of COPD were obtained with the help of TCMSP database,Genecard database,OMIM database and PharmGKB database.Cytoscape 3.9.1 software was used to construct the network diagram of"drugs-active components-potential targets-diseases",and protein-protein interaction(PPI)was constructed on the STRING platform.Key targets in the action maps were identified by the MCC algorithm in Cytoscape 3.9.1 software.GO function,KEGG pathway enrichment analysis were performed by DAVID platform.Finally,Autodock Vina software was used for molecular docking of important targets and active components.Results There were 167 potential targets of Qiaoqin Qingfei Decoction in the treatment of COPD,and the important active components were quercetin and luteolin.The key genes in the PPI network were AKT1,TP53,STAT3,JUN,TNF,MAPK3,etc.GO functional biological process enrichment involved the response to estradiol,the response to lipopolysaccharide,and the response to ethanol;KEGG pathway enrichment analysis screened 173 pathways,mainly enriched in PI3K-Akt signaling pathway,IL-17 signaling pathway,and cancer pathway.Molecular docking verified that its important targets MAPK3,EGFR,and IL6 had certain binding ability to the active components quercetin and luteolin.Conclusion The mechanism of Qiaoqin Qingfei Decoction in treating COPD is mainly related to anti-inflammation,improving airway remodeling and anti-pulmonary fibrosis,and plays a role through multiple targets and multiple pathways.关键词
慢性阻塞性肺疾病/翘芩清肺剂/靶点/信号通路/网络药理学Key words
chronic obstructive pulmonary disease/Qiaoqin Qingfei Decoction/targets/signaling pathway/network pharmacology分类
医药卫生引用本文复制引用
李冬婷,熊艳云,里自然,邓志军,高展鹏,庄轰发..基于网络药理学和分子对接技术探讨翘芩清肺剂治疗慢性阻塞性肺疾病作用机制[J].中国中医药图书情报杂志,2024,48(5):31-37,7.基金项目
广东省中医药局科研项目(20211295、20201092、20231278) （20211295、20201092、20231278）
