基于网络药理和分子对接初步探讨泽漆抗口腔溃疡的作用机制  

Network-pharmacology-based study on active phytochemicals and molecular mechanism of Euphorbia helioscopia L.in treating oral ulcer

作　　者：吴云秀 汪江波[1] 石志棉 WU Yunxiu;WANG Jiangbo;SHI Zhimian(Nanxishan Hospital of Guangxi Zhuang Autonomous Region Second People's Hospital of Guangxi Zhuang Autonomous Region,Guilin 541002;Guilin Medical University,Guilin 541199,China)

机构地区：[1]广西壮族自治区南溪山医院(广西壮族自治区第二人民医院)药学部,广西桂林市541002 [2]桂林医学院药学院,广西桂林市541199

出　　处：《中国煤炭工业医学杂志》2025年第1期31-39,共9页Chinese Journal of Coal Industry Medicine

基　　金：广西自然科学基金青年基金项目(编号:2024GXNSFBA010210),桂林市科学研究与技术开发计划项目(编号:20230121-9)。

摘　　要：目的基于网络药理和分子对接技术对泽漆抗口腔溃疡的作用机制进行初步探讨。方法通过TCMSP和Swiss Target Prediction数据库检索泽漆的活性成分及作用靶点。从OMIM和Gene Cards数据库中收集口腔溃疡的相关靶点。通过STRING平台、CytoScape3.10.0软件和DAVID数据库,分别构建潜在靶点的蛋白-蛋白互相作用(PPI)网络图、筛选核心靶点并对核心靶点进行GO和KEGG分析。采用分子对接技术对泽漆抗口腔溃疡的作用进行初步验证。结果经归纳分析共得到泽漆潜在的17个活性成分和125个靶点。网络分析和靶点富集结果表明,泽漆抗口腔溃疡与外来刺激如化疗药刺激、基因表达及炎症反应等生物过程相关,主要涉及癌症途径、脂质和动脉粥样硬化和磷脂酰肌醇3-激酶/蛋白激酶b信号通路(PI3K-Akt)等信号通路。分子对接结果显示泽漆活性成分与白介素6(IL-6)、肿瘤坏死因子(TNF)和白介素1β(IL-1β)等核心靶点均能稳定结合。结论本研究初步阐述了泽漆抗口腔溃疡的作用机制,发现其可能通过调控炎症反应发挥抗口腔溃疡作用。Objective To explore the mechanism of Euphorbia helioscopia L.in the treatment of oral ulcer based on network pharmacology and molecular docking.Method The active constituents and their corresponding targets of the Euphorbia helioscopia L.were identified through a comprehensive search in the Traditional Chinese Medicine Systems Pharmacology Database(TCMSP)and the Swiss Target Prediction database.Target genes associated with oral ulcer were systematically collected from the OMIM and GeneCards databases.Then,utilizing the STRING platform,Cytoscape 3.10.0 software,and the DAVID database,we constructed a protein-protein interaction(PPI)network map of PPI network map of potential targets.Within this network,we identified core targets and subsequently conducted a comprehensive analysis of these targets using Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathways,respectively.Finally,molecular docking was used to verify the interaction between the active compound and the core target.Results 17 potential active ingredients and 125 potential targets of Euphorbia helioscopia L.were identified in total.Network analysis and target enrichment results revealed that the anti-oral ulcer activity is associated with biological processes,including responses to external stimuli like chemotherapy,gene expression,and inflammatory responses.The analysis highlighted the involvement of cancer pathways,lipid metabolism,atherosclerosis,and the phosphatidylinositol-3-kinase/Protein Kinase B(PI3K-Akt)signaling pathways.Molecular docking results showed that the potential active ingredients could stably bind to key targets such as interleukin-6(IL-6),tumor necrosis factor(TNF)and interleukin-1β(IL-1β),ect.Conclusion In this research,we delineated the preliminary action mechanism of Euphorbia helioscopia L.against oral ulcers,revealing its potential to mitigate oral ulceration through the modulation of inflammatory response.

关 键 词：泽漆 口腔溃疡 网络药理 分子对接 作用机制 

分 类 号：R780.1[医药卫生—口腔医学]