基于网络药理学和分子对接技术探究姜黄素治疗牙周炎的作用机制
Study on the mechanism of curcumin in the treatment of periodontitis through network pharmacology and mole-cular docking
作者：杨靖梅, 周子亮, 吴亚菲, 聂敏
Author：Yang Jingmei, Zhou Ziliang, Wu Yafei, Nie Min
收稿日期：2022-09-19 年卷（期）页码：2023,41(2):157-157-164
期刊名称：华西口腔医学杂志
Journal Name：West China Journal of Stomatology
关键字：姜黄素,牙周炎,网络药理学,分子对接,作用机制,
Key words：curcumin,periodontitis,network pharmacology,molecular docking analysis,mechanism,
基金项目：四川省科技计划资助(2022NSFSC1521);广州市卫生健康科技一般引导项目(20221A011101);国家自然科学基金(82-)
中文摘要
目的 联合使用网络药理学和分子对接技术探究姜黄素作用于牙周炎的治疗靶点。 方法 采用多种数据库预测姜黄素、牙周炎的作用靶点，利用String绘制姜黄素-牙周炎蛋白质相互作用（PPI）网络，筛选出的关键靶基因进行基因本体论（GO）和京都基因与基因组百科全书（KEGG）分析；通过分子对接技术分析姜黄素治疗牙周炎的关键靶点。 结果 从数据库中获得672个牙周炎相关疾病靶点，107个姜黄素作用靶点，筛选获得20个关键靶点，对这20个靶点进行GO和KEGG通路富集分析发现，姜黄素可能通过调节低氧诱导因子（HIF）-1、甲状旁腺激素（PTH）等信号通路发挥治疗作用；分子对接分析结果表明，姜黄素和多个靶点均具有良好的结合潜能。 结论 本研究获得姜黄素治疗牙周炎的潜在靶点及分子机制，对促进药物的研发及临床应用提供理论基础。
英文摘要
ObjectiveThis study aims to explore the therapeutic targets of curcumin in periodontitis through network pharmacology and molecular docking technology.MethodsTargets of curcumin and periodontitis were predicted by different databases, and the protein-protein interaction (PPI) network constructed by String revealed the interaction between curcumin and periodontitis. The key target genes were screened for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses. Molecular docking was performed to analyze the binding potential of curcumin to periodontitis.ResultsA total of 672 periodontitis-related disease targets and 107 curcumin-acting targets were obtained from the databases, and 20 key targets were screened. The GO and KEGG analyses of the 20 targets showed that curcumin might play a therapeutic role through the hypoxia-inducible factor (HIF)-1 and parathyroid hormone (PTH) signaling pathways. Molecular docking analysis showed that curcumin had good binding potential with multiple targets.ConclusionThe potential key targets and molecular mechanisms of curcumin in treating periodontitis provide a theoretical basis for new drug development and clinical applications.
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