枳实芍药散“成分-靶点-通路”的网络药理学研究  

Network Pharmacology Research of “Ingredients-Targets-Pathways” of Zhishi Shaoyao Powder

作　　者：王博龙[1] 刘志强 WANG Bolong;LIU Zhiqiang(School of Chemical and Biological Engineering,Yichun University,Yichun 336000 Jiangxi,China)

机构地区：[1]宜春学院化学与生物工程学院,江西宜春336000

出　　处：《中药新药与临床药理》2018年第5期586-594,共9页Traditional Chinese Drug Research and Clinical Pharmacology

基　　金：江西省教育厅项目(GJJ12596)

摘　　要：目的基于网络药理学研究枳实芍药散活性成分-靶点-通路及其药理机制。方法利用网络药理学分析平台(BATMAN-TCM)获取枳实芍药散活性成分及其对应靶点;利用STRING平台构建蛋白互作网络(PPI),依据度值和介数筛选关键靶蛋白;利用Bi NGO和MCODE插件对关键靶基因进行基因本体(GO)生物过程富集和聚类分析;利用DAVID数据库分析靶点的京都基因和基因组百科全书(KEGG)信号通路。结果获得辛弗林、D-柠檬烯、N-甲基酪胺、没食子儿茶素、芍药新苷等26个主要活性成分及143个靶点,发现了DRD2、MAPK1、CHRM2、TNF、PTGS2、SLC18A2等35个关键靶点。聚类分析418个GO生物过程得到解热抗炎、神经突触递质、蛋白质分泌运输、转录、细胞代谢调控等10个子簇。KEGG信号通路富集主要涉及神经递质、信号转导、肿瘤、物质代谢及其他等5大类22条信号通路。结论枳实芍药散能作用于前列腺素内环氧合酶2、肿瘤坏死因子、乙酰胆碱受体、多巴胺受体、5-羟色胺受体、视黄酸受体α等靶点,参与抗炎、神经递质调节、抗肿瘤等生物过程和信号通路,对炎症、胃肠系统、神经系统及肿瘤疾病具有良好的药理作用。Objective To study the ingredients-targets-pathways of Zhishi Shaoyao powder by network pharmacology,and clarify the pharmacological mechanism.Methods Active ingredients of Zhishi Shaoyao powder and the targets were obtained by using network pharmacology analysis platform（BATMAN-TCM）.Protein-protein interactions （PPI）network was constructed by STRING platform,and key targets were screened according to degree and betweenness.Gene ontology（GO）bioprocess enrichment and clustering analysis of target genes were finished by using BiNGO and MCODE plug-ins.Kyoto Encyclopedia of Genes and Genomes（KEGG）signaling pathways for targets were analyzed by means of DAVID database.Results Twenty six main active ingredients including synephrine,D-Limonene,N-Methyltyramine,gallocatechin,lactiflorin and 143 corresponding targets were obtained;35 key targets were found,including DRD2,MAPK1,CHRM2,TNF,PTGS2,SLC18A2,et al.Cluster analysis of 418 GO biological processes resulted in 10 subclusters of antipyretic and anti-inflammatory,nerve conduction and synaptic ransmission,secretion and transport of protein,transcription,regulation of cell metabolism.The enrichment of KEGG signal pathways mainly involved 22 signal pathways of 5 categories：neurotransmitter,signal transduction,material metabolism,tumor and others.Conclusion The active ingredients of Zhishi Shaoyao powder act on targets such as prostaglandin cyclooxygenase 2,tumor necrosis factor,acetylcholine receptor,dopamine receptor,serotonin receptor and retinoic acid receptorα,participate in biological processes and signal pathways include anti-inflammatory,neurotransmitter regulation,anti-tumor,etc.,and show good pharmacological effect on inflammation,gastrointestinal,nervous system and tumor diseases.

关 键 词：枳实芍药散 网络药理学 聚类分析 靶点 通路 蛋白互作 

分 类 号：R285.5[医药卫生—中药学]