基于网络药理学探讨六合丹治疗急性胰腺炎的物质基础和分子机制  

Material basis and molecular mechanism of Liu-He-Dan in the treatment of acute pancreatitis based on network pharmacology

作　　者：王锐[1,2] 韩晨霞 彭杨 王怡钦 夏庆[1] 杜丹[2] Wang Rui;Han Chenxia;Peng Yang;Wang Yiqing;Xia Qin;Du Dan(Department of Integrated Traditional Chinese Medicine&Western Medicine,West China Hospital,Sichuan University,Chengdu 610041,China;West China-Washington Mitochondria and Metabolism Centre,West China Hospital,Sichuan University,Chengdu 610041,China)

机构地区：[1]四川大学华西医院中西医结合科,成都610041 [2]四川大学华西医院华西-华盛顿线粒体与代谢研究中心,成都610041

出　　处：《中华胰腺病杂志》2020年第3期173-182,共10页Chinese Journal of Pancreatology

基　　金：国家重点研发计划项目(2016YFE010180);四川省科技厅国际合作项目(2019YFH0157)。

摘　　要：目的探讨六合丹治疗AP的物质基础和分子机制。方法通过中医百科全书数据库(ETCM)及人类疾病信息相关数据库(OMIM、DisGeNET、HPO和NCBI)分别检索并筛选六合丹活性化学成分和对应靶点及AP的候选靶点,在STRING数据库进行蛋白质-蛋白质相互作用(PPI)网络分析,利用CPBD及STRING数据库对相应靶点进行富集分析六合丹活性成分治疗AP所涉及的功能及通路,最后通过Cytoscape3.6.0软件构建"中药材-活性化学成分-靶点-通路"网络。结果通过数据库检索六合丹化合物、预测作用靶点及AP的疾病基因筛选出六合丹治疗AP的活性化学成分共111种,分别调控39个AP靶点。经CPBD及STRING数据库对39个靶点进行基因本体(G0)功能富集分析获得生物学过程575条,分子功能49条,细胞组成26条,通过京都基因与基因组百科全书(KEGG)通路富集获得46条,涉及胰腺分泌、胆汁分泌、过氧化物酶体增殖物激活受体(PPAR)信号通路、脂肪消化吸收、花生四烯酸代谢和钙信号通路。结论初步明确了六合丹通过多成分、多靶点和多通路治疗AP的作用机制,为深入研究六合丹的活性化合物及作用机制奠定基础。Objective To explore the material basis and molecular mechanism of Liu-He-Dan(LHD)in treating acute pancreatitis(AP).Methods Active chemical components of LHD,their corresponding targets and related AP pathogenic genes were searched and selected in the Encyclopedia of Traditional Chinese Medicine(ETCM)and disease information related databases(OMIM,DisGeNET,HPO,and NCBI),respectively.The protein-protein interaction(PPI)was analyzed through the STRING database.Enrichment analysis on those targets was performed by using CPBD and STRING databases to examine the function and pathway involved in the treatment of AP by active chemical components of LHD.Finally,"Chinese medicinal materials-active chemical components-targets-pathways"network was constructed by Cytoscape 3.6.0.Results Network analysis showed that a total of 111 active chemical components of LHD were correlated with 39 targets of AP.The gene ontology functional enrichment analysis of 39 targets by CPBD and STRING databases obtained 575 enrichment results of biological process,49 results of molecular function and 26 results of cellular components;Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis obtained 46 enrichment results involved in pancreatic secretion,bile secretion,RRAR signaling pathway,arachidonic acid metabolism and calcium signaling.Conclusions The molecular mechanism of LHD in the treatment of AP by multiple components,multiple targets and multi-signaling pathways was preliminarily determined,which provides a basis for further analysis on active chemical components of LHD and molecular function.

关 键 词：六合丹 胰腺炎 网络药理学 分子机制 

分 类 号：R285[医药卫生—中药学]