摘要
目的通过网络药理学与分子对接技术探究苗药了哥王治疗肝癌的作用机制。方法使用TCMSP和Uniprot数据库获取了哥王的活性成分和靶点基因,使用OMIM、TTD、GeneCards数据库获取肝癌基因靶点,将成分-疾病交集靶点基因导入STRING数据库构建PPI网络并筛选核心靶点。使用DAVID数据库进行基因本体论(GO)与京都基因与基因组百科全书(KEGG)富集分析。最后将核心靶点与对应的活性成分进行分子对接。结果在数据库中筛选出11个有效活性成分和73个对应靶点,肝癌基因靶点2260个,成分-疾病交集靶点28个,经PPI网络筛选得到核心靶点5个。GO分析主要涉及酶结合,序列特异性DNA结合等分子功能;细胞凋亡信号通路,基因表达的正向调节等生物过程;细胞质,细胞核等细胞组成。KEGG富集主要涉及癌症途径、脂质和动脉粥样硬化、小细胞肺癌等。分子对接结果表明核心靶点与其对应的成分有较好的结合活性。结论研究初步揭示了苗药了哥王治疗肝癌可能是通过多成分、多靶点、多通路协同作用的机制,为深入研究了哥王治疗肝癌的药理机制提供了理论依据。
Objective To explore the mechanism of Miao medicine Wikstroemia indica(L.)C.A.Mey.in the treatment of liver cancer using network pharmacology and molecular docking techniques.Methods The TCMSP and UniProt databases were used to obtain the active components and target genes of Wikstroemia indica.Gene targets associated with liver cancer were retrieved from the OMIM,TTD,and GeneCards databases.The intersecting component-disease target genes were imported into the STRING database to construct a protein-protein interaction(PPI)network and identify core targets.Gene Ontology(CO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were performed using the DAVID database.Finally,molecular docking was conducted between the core targets and corresponding active components.Results A total of 11 active components and 73 corresponding targets were identified,along with 2260 liver cancer-related gene targets.Twenty-eight intersecting targets and five core targets were screened through the PPI network analysis.GO analysis indicated enrichment in molecular functions such as enzyme binding and sequence-specific DNA binding;biological processes including apoptosis signaling pathways and positive regulation of gene expression;and cellular components such as the cytoplasm and nucleus.KEGG pathway enrichment was mainly related to cancer pathways,lipid metabolism,and atherosclerosis,small cell lung cancer.Molecular docking results demonstrated that the core targets exhibited good binding affinities with their corresponding active mechanisms.Conclusion This study preliminarily reveals that Wikstroemia indica may exert therapeutic effects on liver cancer through a multi-component,multi-target,and multi-pathway synergistic mechanism,providing a theoretical foundation for further research into its pharmacological action.
作者
覃钱
韩彩瑶
冯果
隋怡
雷燕
刘刚
李玮
QIN Qian;HAN Caiyao;FENG Guo;SUI Yi;LEI Yan;LIU Gang;LI Wei(Guizhou University of Traditional Chinese Medicine,Guiyang 550025,China;Guizhou Traditional Chinese Medicine Processing Technology Inheritance Base,Guiyang 550025,China;State Key Laboratory of Genuine Medicinal Materials,Beijing 100700,China)
出处
《微量元素与健康研究》
2025年第3期32-38,共7页
Studies of Trace Elements and Health
基金
国家自然科学基金资助项目(82060767,81760766)
贵州中医药大学国家与省级科技创新人才团队培育项目(贵中医TD合字[2024]001号)
贵州中医药大学博士启动基金项目(贵中医[ZQ2018001])
贵州省科学技术基金项目(黔科合基础ZK[2022]一般461)
贵州省卫生健康委科学技术基金项目(gzwkj2024-061)
全国中医药创新骨干人才培训项目(国中医药人教函[2019]128号)
贵州省高层次创新型人才项目(黔人领发[2020]4号)
国家中医药管理局省级中药炮制技术传承基地建设项目(国中医科技[2015]132号)
贵州中药、民族药材产地加工与饮片炮制工程研究中心项目(黔发改[2015]542号)
中央本级重大增减支项目(2060302)
贵州省科技专员项目(黔科合人才KJZY[2025]060)。
关键词
了哥王
肝癌
网络药理学
分子对接
作用机制
Wikstroemia indica(L.)C.A.Mey.
liver cancer
network pharmacology
molecular docking
mechanism of action
