海南医学院学报2023，Vol.29Issue(24)：1878-1888,11.DOI:10.13210/j.cnki.jhmu.20230901.002
基于网络药理学和分子对接技术预测昆明山海棠治疗口腔扁平苔藓的潜在靶点和分子机制
Prediction of potential targets and molecular mechanisms of Tripterygium hypoglaucum for oral lichen planus based on network pharmacology and molecular docking
摘要
Abstract
Objective:To explore the potential targets and molecular mechanisms of Tripterygium hypoglaucum for oral li-chen planus(OLP)by applying network pharmacology and molecular docking technology.Methods:Active ingredients and targets of Tripterygium hypoglaucum were screened.OLP-related targets were predicted.The Protein-Protein Interaction(PPI)network was constructed for the intersection targets of Tripterygium hypoglaucum and OLP.The"OLP-target-molecule-Tripterygium hy-poglaucum"network was constructed and visualizated.The intersection genes were screened for gene ontology(GO)and kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analyses.Molecular docking analysis and visualization were per-formed.Results:Fifteen active ingredients and 78 targets of Tripterygium hypoglaucum were obtained.9 109 OLP-related targets were screened,and 54 intersection genes of Tripterygium hypoglaucum with OLP were obtained.The top 10 key targets were screened from the constructed PPI network.The top 10 active ingredients of Tripterygium hypoglaucum were screened from the constructed"OLP-targets of action-active ingredients-Tripterygium hypoglaucum"network.The GO and KEGG analyses of the 54 intersection targets indicated that Tripterygium hypoglaucum may play a therapeutic role by regulating one carbon pool by fo-late,pathways in cancer,et al.Molecular docking analysis showed that dihydrofolate reductase(DHFR),phosphoribosylglycin-amide formyltransferase(GART),estrogen receptor 1(ESR1),et al are the key targets for the treatment of OLP in tripterygium hypoglaucum.Conclusion:The potential key targets and molecular mechanisms of Tripterygium hypoglaucum in treating OLP pro-vide a theoretical basis for new drug development and clinical applications.关键词
昆明山海棠/口腔扁平苔藓/网络药理学/分子对接/作用机制Key words
Tripterygium hypoglaucum/Oral lichen planus/Network pharmacology/Molecular docking/Mechanism分类
医药卫生引用本文复制引用
梅杰,孙瑜,王正安,邝惠芳,曾晓妹,蔡红宣,符起亚,罗文..基于网络药理学和分子对接技术预测昆明山海棠治疗口腔扁平苔藓的潜在靶点和分子机制[J].海南医学院学报,2023,29(24):1878-1888,11.基金项目
National Natural Science Foundation of China(82360190) （82360190）
Hainan Natural Science Foundation(822RC828) （822RC828）
Hainan Provincial Department of Education Research Project(Hnky2018ZD-7) 国家自然科学基金资助项目(82360190) （Hnky2018ZD-7）
海南省自然科学基金资助项目(822RC828) （822RC828）
海南省教育厅科研项目(Hnky2018ZD-7) （Hnky2018ZD-7）
