基于网络药理学和分子对接的人参治疗牙周炎的潜在机制。

Jinmeng Sun, Ying Zhang, Zejun Zheng, Xiaoling Ding, Minmin Sun, Gang Ding
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摘要

目的基于网络药理学和分子对接技术探讨人参治疗牙周炎的机制。方法通过各种数据库获得人参与牙周炎的潜在靶点。利用 VENNY 获得人参与牙周炎的交叉靶点,在 STRING 平台上形成蛋白-蛋白相互作用网络关系图,利用 Cytoscape 软件形成核心靶点图,构建人参-活性成分-靶点网络图。对筛选出的靶标进行了基因本体(GO)和京都基因组百科全书(KEGG)通路富集分析。结果分析了22种人参有效成分、591个人参有效成分潜在靶点、2 249个牙周炎基因靶点和145个人参-牙周炎交叉靶点。人参对血管内皮生长因子 A、表皮生长因子受体等核心靶点,以及缺氧诱导因子 1(HIF-1)信号通路和磷脂酰肌醇 3- 激酶-蛋白激酶 B(PI3K-Akt)信号通路具有很强的结合活性。结论人参及其活性成分可调节多种信号通路,如HIF-1和PI3K-Akt,从而表明人参可通过多种途径治疗牙周炎。
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Potential mechanism of ginseng in the treatment of periodontitis based on network pharmacology and molecular docking.
OBJECTIVES To explore the mechanism of ginseng in the treatment of periodontitis based on network pharmacology and molecular docking technology. METHODS Potential targets of ginseng and periodontitis were obtained through various databases. The intersection targets of ginseng and periodontitis were obtained by using VENNY, the protein-protein interaction network relationship diagram was formed on the STRING platform, the core target diagram was formed by Cytoscape software, and the ginseng-active ingredient-target network diagram was constructed. The selected targets were screened for gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis. The core targets of ginseng's active ingredients in treating periodontitis were analyzed by molecular docking technique. RESULTS The 22 ginseng's active ingredients, 591 potential targets of ginseng's active ingredients, 2 249 periodontitis gene targets, and 145 ginseng-periodontitis intersection targets were analyzed. Ginseng had strong binding activity on core targets such as vascular endothelial growth factor A and epidermal growth factor receptor, as well as hypoxia induced-factor 1 (HIF-1) signaling pathway and phosphatidylinositol 3-kinase-protein kinase B (PI3K-Akt) signaling pathway. CONCLUSIONS Ginseng and its active components can regulate several signaling pathways such as HIF-1 and PI3K-Akt, thereby indicating that ginseng may play a role in treating periodontitis through multiple pathways.
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