儿科药学杂志2024，Vol.30Issue(8)：6-12,7.DOI:10.13407/j.cnki.jpp.1672-108X.2024.08.002
基于网络药理学及分子对接研究中药对药"麻黄-半夏"治疗支气管哮喘的机制
Mechanism of"Ephedra Herba-Pinellia Ternata"in the Treatment of Bronchial Asthma Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective:To probe into the mechanism of"Ephedra herba-Pinellia ternata"in the treatment of bronchial asthma based on network pharmacology and molecular docking.Methods:The chemical components and potential drug targets of"Ephedra herba-Pinellia ternata"and bronchial asthma targets were searched from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),DisGeNET and GeneCards database.STRING 11.0 database was used to obtain protein-protein interaction(PPI)network.Gene ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were carried out by MetaScape software to obtain the potential pathway of"Ephedra herba-Pinellia ternata"on bronchial asthma.AutoDockTools and PyMOL software were used to dock the main active components with the core targets.Results:Totally 35 active components and 241 targets were extracted from"Ephedra herba-Pinellia ternata",of which 110 targets were related to the action of bronchial asthma,and finally 9 core compounds and 7 core targets were screened out.KEGG enrichment analysis indicated that"Ephedra herba-Pinellia ternata"may acted on bronchial asthma through phosphatidylinositol 3-kinase-protein kinase B(PI3K-Akt),interleukin(IL)-17,tumor necrosis factor(TNF)and other signal pathways.Molecular docking results showed that the binding activity of targets and components were good.Conclusion:The treatment of bronchial asthma with"Ephedra herba-Pinellia ternata"is characterized by"multicomponent-multitarget-multipathway",and it is predicted that the treatment of bronchial asthma with"Ephedra herba-Pinellia ternata"can be achieved by decreasing the endothelial hyperplasia,inhibiting the proliferation of smooth muscle,and reducing the inflammatory response,which can provide ideas and methods for the subsequent in-depth experimental research and clinical application.关键词
支气管哮喘/麻黄/半夏/网络药理学/分子对接Key words
bronchial asthma/Ephedra herba/Pinellia ternata/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
王子童,朱珊,刘瑞娟,牛勇清..基于网络药理学及分子对接研究中药对药"麻黄-半夏"治疗支气管哮喘的机制[J].儿科药学杂志,2024,30(8):6-12,7.基金项目
河南省自然科学基金,编号232300421188 （）
河南省中医药科学研究专项课题,编号2022ZY1072. （）
