基于网络药理学和分子对接技术探讨人参对牙周炎的潜在治疗机制

Potential mechanism of ginseng in the treatment of periodontitis based on network pharmacology and molecular docking

摘要

目的 采用网络药理学和分子对接技术探讨人参治疗牙周炎的潜在作用机制。 方法 通过多种数据库获得人参、牙周炎的潜在靶点，利用VENNY获得人参-牙周炎交集靶点，在STRING平台形成蛋白质互作网络关系图，采用Cytoscape软件形成核心靶点图并构建人参-活性成分-靶点网络图，将核心靶点进行基因本体论（GO）和京都基因与基因组百科全书（KEGG）通路富集分析，通过分子对接技术分析人参活性成分治疗牙周炎的核心靶点。 结果 分析获得22个人参活性成分、591个人参活性成分潜在作用靶点、2 249个牙周炎基因靶点和145个人参-牙周炎交集靶点。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低氧诱导因子-1（HIF-1）信号通路、磷脂酰肌醇3-激酶-蛋白激酶B（PI3K-Akt）信号通路分子具有较强的结合活性。 结论 人参及其活性成分可通过调节HIF-1、PI3K-Akt等多条信号通路发挥治疗牙周炎的作用。

Abstract

Objective 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. Conclusion 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.

关键词

人参 / 牙周炎 / 网络药理学 / 分子对接 / 作用机制

Key words

ginseng / periodontitis / network pharmacology / molecular docking / mechanism

Author summay

孙金梦，硕士，E-mail：[e-mail]