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基于生物信息学探索山豆根治疗肝硬化的作用机制与物质基础
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Abstract:
目的：基于生物信息学探索山豆根治疗肝硬化的作用机制与物质基础。方法：前期研究获取山豆根的活性成分。利用SuperPred数据库筛选出山豆根化学成分的潜在作用靶点；通过GeneCards、DrugBank、OMIM和CTD等数据库获取肝硬化的潜在作用靶点；进而用Venny 2.1.0对山豆根化学成分潜在靶点及肝硬化的潜在靶点进行交集分析；运用String平台构建蛋白互作网络图(PPI)导入到Cytoscape软件构建“中药–活性成分–疾病靶点–疾病”调控网络图以及筛选出核心靶点；通过metoscape数据库对交集靶点进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析以及筛选出山豆根治疗肝硬化的核心成分；最后，通过CB-DOCK2软件将山豆根治疗肝硬化的核心靶点与核心成分进行分子对接。结果：实验筛选得到对肝硬化有潜在治疗作用的85个有效活性成分以及46个交集靶点，核心靶点主要包括HIF1A、肿瘤坏死因子(TNF-a)、环氧合酶2 (PTGS2)、MAPK1等。GO富集分析涉及基因表达的正向调控、老化、细胞凋亡过程的正向调节等生物过程。KEGG通路分析显示山豆根主要影响癌症的通路、IL-17信号通路、细胞凋亡、脂质和动脉粥样硬化等信号通路。结论：应用生物信息学的方法预测出山豆根治疗肝硬化的作用机制以及物质基础，为其进一步研究提供新的思路与线索。
Objective: To explore the mechanism of action and material basis of Sophora tonkinensis Gagnep in treating liver cirrhosis based on bioinformatics. Method: Screening the potential targets of chemical constituents of Sophora tonkinensis Gagnep by SuperPred database; Obtain the potential targets of liver cirrhosis through GeneCards, DrugBank, OMIM and CTD databases; Venny 2.1. 0 was used to analyze the potential targets of chemical composition of Sophora tonkinensis Gagnep and the potential targets of liver cirrhosis; Using String platform to construct protein interaction network diagram (PPI) and import it into Cytoscape software to construct “traditional Chinese medicine-active ingredients-disease target-disease” regulatory network diagram and screen out core targets; Through metoscape database, gene ontology (GO) function enrichment analysis and Kyoto Encyclopedia of Gene and Genome (KEGG) pathway enrichment analysis were carried out on the intersection targets, and the core components of Sophora tonkinensis Gagnep in treating liver cirrhosis were screened out. Finally, the core target of Sophora tonkinensis Gagnep in treating liver cirrhosis was docked with the core component by CB-DOCK2 software. Results: The experiment screened out 85 active ingredients with potential therapeutic effects on cirrhosis, as well as 46 intersection targets. The core targets mainly include HIF1A, tumor necrosis factor (TNF-a), cyclooxygenase 2 (PTGS2), MAPK1, etc. GO enrichment analysis involves positive regulation of gene expression, aging, and positive regulation of the cell apoptosis process in biological processes. KEGG pathway analysis shows that Sophora Tonkinensis Gagnep mainly affects cancer pathways, IL-17 signaling pathways, cell apoptosis, lipids, atherosclerosis and other
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