基于网络药理学的枇杷叶抗肺纤维化机制研究  

Study on the Mechanism of Eriobotrya japonica in the Treatment of Pulmonary Fibrosis Based on Network Pharmacology

作　　者：黄靖 杨磊 林大河 林素英 林海燕 包君丽 Huang Jing;Yang Lei;Lin Dahe;Lin Suying;Lin Haiyan;Bao Junli(College of Environmental and Biological Engineering, Fujian Provincial Key Lab. of Ecology-Toxicological Effects & Control for Emerging Contaminants, Putian University, Putian 351100, China;Medical School, Qinghai University, Xining 810016, China)

机构地区：[1]莆田学院环境与生物工程学院福建省新型污染物生态毒理效应与控制重点实验室,福建莆田351100 [2]青海大学医学院,青海西宁810016

出　　处：《中国野生植物资源》2021年第5期1-8,13,共9页Chinese Wild Plant Resources

基　　金：福建科技厅高校产学合作重大项目(2015H6017);教育部产学合作协同育人项目子课题(201902323030815,总课题201902323030);福建省科技创新联合资金项目(2018C0010);福建省教育厅中青年教师项目(JAT190584,JAT170501);莆田市区域重点项目(2020GJQ005);莆田市科技局项目(2018NP2001,2017G2012,2017R4001);莆田学院科研创新专项项目(2018ZP03,2018ZP08,2018ZP07,2016080,PY16012)。

摘　　要：目的:基于网络药理学和分子对接方法,分析枇杷叶治疗肺纤维化机理和分子靶点。方法:本研究通过对TCMSP数据库、Uniprot数据库、Stitch数据库以及GeneGards等多个数据库的数据挖掘,筛选枇杷叶主要活性成分及其靶点并获得肺纤维化相关交集靶标基因,利用Cytoscape 3.7.2软件构建靶蛋白互作网络图和药物-化合物-疾病-靶点-通路网络图,并使用Clusterprofile程序包对枇杷叶治疗肺纤维化潜在作用靶标进行GO分类和KEGG通路富集分析。结果:枇杷叶治疗肺纤维化有18个候选活性成分、103个潜在作用靶标及138条通路,分子对接表明MOL012556与3个关键候选靶蛋白有较好结合性。结论:基于网络药理学方法和分子对接挖掘枇杷叶治疗肺纤维化的治疗靶点和信号通路,为研究枇杷叶治疗肺纤维化的作用机制提供了新的研究方法。Objective:The mechanism of Eriobotrya japonica on the treatment of pulmonary fibrosiswas concerned in this paper by the network pharmacology and molecular docking studies.Methods:Several key active drug compounds in the E.japonica to target the genes of pulmonary fibrosis disease were selected from TCMSP database,Uniprot database,Stitch database and Genecards database via data mining and data analysis.The diagram of compounds-disease targets-mechanism network was visualized by Cytoscape 3.7.2 and the GO classification and KEGG pathway enrichment analysis diagrams were performed by Clusterprofile program to reveal the mechanism on the treatment of pulmonary fibrosis by E.japonica.Results:18 active organic compound,103 potential target genes and 138 pathways were predicted by network pharmacology studies.Molecular docking analysis showed that the key drug compound MOL012556 had well combinations with 3 main potential target proteins.Conclusions:The data mining with network pharmacology and molecular docking in this investigation provided new routes to understand the pulmonary fibrosis medical therapy by E.japonica.

关 键 词：枇杷叶 肺纤维化 痰热内蕴 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]