中国动物传染病学报2025，Vol.33Issue(3)：25-35,11.
基于网络药理学和分子对接研究双氢杨梅树皮素抗细菌性肺炎的作用机制
Study on the Anti-Bacterial Pneumonia Mechanism of Ampelopsin Based on the Network Pharmacology and Molecular Docking
摘要
Abstract
To explore the anti-bacterial pneumonia mechanism of ampelopsin(APS)based on network pharmacology and molecular docking,the PharmMapper database was used to reverse docking to predict the target of APS.The related targets of anti-bacterial pneumonia were provided by GeneCards,OMIM,DiGseE databases.The protein interaction network(PPI)was constructed by String platform and Cytoscape 3.8.0.Key targets were selected by the CytoCNA plug-in by calculating the topological parameters of the network graph,and the type of targets were attributed by DisGeNET database.Metascape database and R language were used to visualized the results of GO annotation and KEGG pathway enrichment analysis,and Cytoscape 3.8.0 software was used to construct the compound-target-pathway network.AutoDock vina software was used to dock the molecules of the component with the key targets.The results indicated that APS had 112 core targets for anti-bacterial pneumonia,involving biological functions in 1849,of which 38 targets were involved in regulatory exocytosis.In addition,33 targets were involved in cell adhesion regulation and 23 targets were involved in inflammatory response.According to the"compound-target-pathway"network diagram,APS played an anti-bacterial pneumonia effect by acting on AKT1,ALB,MAPK1,CASP3,EGFR and other targets,involving signal pathways such as inflammation,apoptosis,and immune response.Molecular docking showed that APS had good binding with 6 key targets.These results showed that APS exerted its anti-bacterial pneumonia effect through multi-targets and multi-pathways and provided a basis for the follow-up study of the anti-bacterial pneumonia mechanism of APS.关键词
细菌性肺炎/双氢杨梅树皮素/网络药理学/分子对接/作用机制Key words
Bacterial pneumonia/ampelopsin/network pharmacology/molecular docking/mechanism of action分类
医药卫生引用本文复制引用
杨柯,王溢,邓浩健,唐木兰,曾春晖..基于网络药理学和分子对接研究双氢杨梅树皮素抗细菌性肺炎的作用机制[J].中国动物传染病学报,2025,33(3):25-35,11.基金项目
国家自然科学基金项目(81460626,8160357) （81460626,8160357）
研究生教育创新计划项目(YCSW2021236) （YCSW2021236）
广西自然科学基金重点项目(2020GXNSFDA238020) （2020GXNSFDA238020）
广西教育厅广西研究生教育创新计划资助项目(JGY2014086) （JGY2014086）
