基于数据挖掘探究溪黄草药用成分及潜在抗癌的作用机制  

Research on the medicinal components and potential anticancermechanism of Herba lsodi Lophanthoidis based on data mining

作　　者：李小敏 张佳涵 梁宏轩 黄镇江 张振霞[1] 郑玉忠[1] 陈良辉 刘亚群[1] LI Xiaomin;ZHANG Jiahan;LIANG Hongxuan;HUANG Zhenjiang;ZHANG Zhenxia;ZHENG Yuzhong;CHEN Lianghui;LIU Yaqun(School of Life Science and Food Engineering,Hanshan Normal University,Chaozhou,Guangdong 521041,China)

机构地区：[1]韩山师范学院生命科学与食品工程学院,广东潮州521041

出　　处：《现代医药卫生》2024年第6期930-935,940,共7页Journal of Modern Medicine & Health

基　　金：广东省粤东药食资源功能物质与治未病研究重点实验室(2021B1212040015);韩山师范学院2023年度(第三批)教授启动项目(QD2023312);潮州市第三批科技计划自筹经费项目(2023ZC24)。

摘　　要：目的探讨溪黄草的药效成分及其潜在的抗肿瘤作用机制。方法通过文献检索、BATMAN-TCM数据库及CancerHSP数据库收集溪黄草的化学成分,利用化源网查询CAS号,通过TCMSP数据库和SwissADME在线平台筛选有效成分;运用SwissTargetPrediction在线平台预测各有效成分的靶点,通过Metascape数据库对靶点进行GO和KEGG富集分析,通过在线作图平台微生信将结果可视化。通过STRING平台获取蛋白互相作用网络并筛选关键靶点,通过NIMNT数据库进行关键靶标的适应证预测,采用网络绘图软件Cytocape3.9.1构建“药物-核心靶标-疾病”互作网络。结果共筛选到5,6,3′,4′-四羟基-7-甲氧基黄酮、铁锈醇、山柰酚和杜鹃黄素等10个有效成分,这些成分作用于212个靶点,其中SRC、PIK3R1、PIK3CA、AKT1、ESR1、CDK1和EGFR等为核心靶点。GO富集分析得到生物过程条目5310条,细胞组成条目524条,分子功能条目981条;KEGG通路富集筛选获得260条信号通路,参与癌症通路、磷酸酶D信号通路和cGMP-PKGX信号通路等多条通路。结论溪黄草抗癌活性是多成分、多靶点、多通路的作用结果,为临床合理使用中草药辅助治疗癌症提供了一定的科学理论依据。Objective To explore the medicinal components of Herba lsodi Lophanthoidis and its potential anticancer mechanism based on network pharmacology research methods.Methods The chemical components of Herba lsodi Lophanthoidis were collected by literature search,BATMAN-TCM and CancerHSP database,the CAS number was checked by using Chemical Source website,and the active components were screened by TCMSP database and SwissADME online platform.The targets of each active component were predicted by using SwissTargetPrediction online platform.Metascape database was used for GO and KEGG analysis and the online mapping platform Bioinformatics visualized the results.The STRING platform was used to obtain protein-protein interaction networks and screen key targets,the NIMNT database was used to predict the indications of the key targets.The Cytocape3.9.1 was used to construct“drug-core target-disease”interaction networks.Results A total of 10 active components,including 5,6,3′,4′-tetrahydroxy-7-methoxyflavone,ferruginol,kaempferol and azaleatin,were screened and they acted on 212 targets.Among them,SRC,PIK3R1,PIK3CA,AKT1,ESR1,CDK1 and EGFR were the core targets.GO functional enrichment analysis obtained 5310 entries for biological processes,524 entries for cell composition and 981 entries for molecular functions.A total of 260 signaling pathways were captured from KEGG pathway enrichment screening,which were related to cancer,phosphatase D and cGMP-PKGX signaling pathways,etc.Conclusion The anticancer activity of Herba lsodi Lophanthoidis is the result of the combined action of multi-component,multi-target and multi-pathway,which provides a scientific theoretical basis for the rational clinical use of Chinese herbal medicine in adjuvant treatment of cancer.

关 键 词：溪黄草 网络药理学 靶点 信号通路 癌症 

分 类 号：R285[医药卫生—中药学]