基于网络药理学探讨白术-枳实药对治疗慢性传输型便秘的作用机制
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篇名: 基于网络药理学探讨白术-枳实药对治疗慢性传输型便秘的作用机制
TITLE:
摘要: 目的:探讨白术-枳实药对治疗慢性传输型便秘(STC)的作用机制。方法:借助中药系统药理学分析平台(TCMSP)检索中药白术、枳实的化学成分和作用靶点,通过UniProt、HCBI和PubMed等数据库查询靶点对应的基因,进而运用Cytoscape 3.2.1软件构建化合物-靶点(基因)网络、蛋白相互作用核心网络(PPICN)筛选出核心靶点,最后通过DAVID数据库进行基因本体(GO)功能富集分析和基于京都基因与基因组百科全书(KEGG)通路富集分析研究其作用机制。结果:共筛选出了26个活性化合物,其中化合物-靶点(基因)网络包含21个活性化合物和相应靶点142个,核心靶点涉及前列腺素内过氧化物合酶1(PTGS1)、PTGS2等。PPICN包含302个蛋白,关键蛋白涉及融合基因NTRK1、帕金森基因PARK2、抑癌基因TP53等。GO功能富集分析得到GO条目741个(P<0.05),其中生物过程条目457个、分子功能条目131个、与细胞组成相关的条目153个。KEGG通路富集筛选得到106条信号通路(P<0.05),涉及EB病毒感染通路、病毒致癌作用通路、丝裂原活化蛋白激酶通路等。结论:白术-枳实药对通过多靶点、多通路来治疗STC,这为进一步深入探讨其作用的物质基础以及作用机制提供了参考。
ABSTRACT: OBJECTIVE: To investigate the mechanism of Atractylodes macrocephala-Citrus aurantium couplet medicine on slow transit constipation (STC). METHODS: With the aid of traditional Chinese medicine system pharmacology platform (TCMSP), chemical components and targets of A. macrocephala and C. aurantium were retrieved. The target genes were queried through UniProt, HCBI and PubMed databases. Cytoscape 3.2.1 software was used to establish compound-targets (genes) networks and protein-protein interaction core network (PPICN) so as to screen key target. The mechanism of its action was studied through gene ontology (GO) function enrichment analysis by DAVID database and based on the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. RESULTS: A total of 26 active compounds were screened. The compound-targets (genes) network contained 21 active compounds and 142 corresponding targets; key targets involved PTGS1, PTGS2, etc. PPICN contained 302 proteins, and key proteins involved fusion gene NTRK1, parkinson gene PARK2, antioncogene TP53, etc. The analysis of GO function enrichment obtained 741 Go item (P<0.05), including 457 biological process items, 131 molecular function items and 153 cell composition related items. There were 106 signal pathways (P<0.05) in the KEGG pathway enrichment screening, involving EB virus infection pathway, viral carcinogenesis pathway, MAPK pathway and so on. CONCLUSIONS: A. macrocephala-C. aurantium couplet medicine treat STC through multiple target and multiple pathway. It provides reference for further study of their material basis and mechanism of action.
期刊: 2018年第29卷第13期
作者: 宗阳,孙明明,乐音子,颜帅
AUTHORS: ZONG Yang,SUN Mingming,YUE Yinzi,YAN Shuai
关键字: 白术-枳实药对;慢性传输型便秘;网络药理学;靶点;基因;信号通路
KEYWORDS: Atractylodes macrocephala-Citrus aurantium couplet medicine; Slow transit constipation; Network pharmacology; Target; Gene; Signaling Pathway
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