应用化学2025，Vol.42Issue(12)：1701-1710,10.DOI:10.19894/j.issn.1000-0518.240397
基于网络药理学和分子对接探究侧柏叶对运动性哮喘的治疗机制
Exploring the Therapeutic Mechanism of Platycladus Orientalis Leaves on Exercise-Induced Asthma Based on Network Pharmacology and Molecular Docking
摘要
Abstract
This study uses network pharmacology and molecular docking techniques to investigate the therapeutic mechanism of platycladus orientalis leaves(side-bai-ye)on exercise-induced asthma,aiming to provide richer theoretical support and new strategies for the treatment of this disease.First,the chemical components of platycladus orientalis leaves were retrieved from the TCMSP database,and active components with therapeutic potential were screened.Gene Cards database was then used to identify potential targets associated with exercise-induced asthma,and the Venny 2.1.0 database was employed to determine the common action targets between platycladus orientalis leaves and exercise-induced asthma.Next,based on the common action targets,the"exercise-induced asthma-targets-platycladus orientalis components-pathways"interaction network was constructed using Cytoscape 3.9.1 software.Finally,the interaction network of common action targets was built using the String database,followed by kyoto encyclopedia of genes and genomes(KEGG)and gene ontology(GO)enrichment analysis using the Divid database.Molecular docking analysis was performed using AutoDock Tools 1.5.7 software to predict the binding modes and affinities between these molecules.The results showed that the effective active components of platycladus orientalis leaves mainly include Isorhamnetin,Kaempferol,and Quercetin.There are 103 common targets between platycladus orientalis leaves and exercise-induced asthma,with 23 core targets.GO and KEGG enrichment analyses suggest that platycladus orientalis leaves treat exercise-induced asthma by regulating cancer-related pathways,metabolic pathways,PI3K-Akt signaling,and other signaling pathways.Molecular docking analysis revealed that AKT1,TP53,BCL2,PTGS2,and CASP3 may be key targets for platycladus orientalis leaves in treating exercise-induced asthma,mediating the cancer-related pathways,metabolic pathways,and other signaling pathways through active components such as Isorhamnetin,Kaempferol,and Quercetin,thus exerting a multi-target and multi-pathway synergistic therapeutic effect.In vivo and in vitro experiments further confirmed that the active components of platycladus orientalis leaves can participate in the treatment process of exercise-induced asthma by regulating the expression of core target proteins.关键词
侧柏叶/运动性哮喘/网络药理学/信号通路Key words
Platycladus orientalis leaves/Exercise-induced asthma/Network pharmacology/Signaling pathways分类
化学化工引用本文复制引用
王鹏,张朝法,梁思捷..基于网络药理学和分子对接探究侧柏叶对运动性哮喘的治疗机制[J].应用化学,2025,42(12):1701-1710,10.基金项目
江苏省卫健委重点项目(No.ZD2022064)资助 Supported by the Key Project of Jiangsu Provincial Health Commission(No.ZD2022064) （No.ZD2022064）
