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
孙金梦 1张颖 1郑泽君 1丁晓玲 2孙敏敏 1丁刚1
作者信息
- 1. 山东第二医科大学口腔医学院,潍坊 261053
- 2. 山东第二医科大学临床能力培训中心,潍坊 261053
- 折叠
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 phar-macology 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 pro-tein-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 en-richment analysis.The core targets of ginseng's active in-gredients in treating periodontitis were analyzed by mo-lecular docking technique.Results The 22 ginseng's active ingredients,591 potential targets of ginseng's ac-tive ingredients,2 249 periodontitis gene targets,and 145 ginseng-periodontitis intersection targets were analyzed.Ginseng had strong binding activity on core targets such as vas-cular endothelial growth factor A and epidermal growth factor receptor,as well as hypoxia induced-factor 1(HIF-1)sig-naling pathway and phosphatidylinositol 3-kinase-protein kinase B(PI3K-Akt)signaling pathway.Conclusion Gin-seng 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引用本文复制引用
基金项目
国家自然科学基金(81570945)
山东省自然科学基金(ZR2022QH273)
山东省自然科学基金(ZR2021MH051)
山东省研究生教育质量提升计划(SDYAL21150)
山东第二医科大学研究生科研创新基金(2023YJSCX008)
出版年
2024
国家科技期刊平台
NSTL
万方数据