基于网络药理学和分子对接探讨雷公藤片治疗类风湿关节炎的作用机制  

Mechanism of Leigongteng Tablets in the Treatment of Rheumatoid Arthritis Based on Network Pharmacology and Molecular Docking

作　　者：孙健淇 孙瑶 张颖利 王勇[1] 石瑞丽[2,3] SUN Jianqi;SUN Yao;ZHANG Yingli;WANG Yong;SHI Ruili(Dept.of Pharmacy,the Second Affiliated Hospital of Baotou Medical College,Inner Mongolia University of Science and Technology,Inner Mongolia Baotou 014030,China;Dept.of Physiology,Baotou Medical College,Inner Mongolia University of Science and Technology,Inner Mongolia Baotou 014040,China;Institute of Neuroscience,Baotou Medical College,Inner Mongolia Baotou 014040,China)

机构地区：[1]内蒙古科技大学包头医学院第二附属医院药剂科,内蒙古包头014030 [2]内蒙古科技大学包头医学院生理学教研室,内蒙古包头014040 [3]包头医学院神经科学研究所,内蒙古包头014040

出　　处：《中国医院用药评价与分析》2025年第1期19-24,32,共7页Evaluation and Analysis of Drug-use in Hospitals of China

基　　金：国家自然科学基金资助项目(No.82360788,No.81960734);内蒙古自治区卫生健康科技计划项目(No.202201445);包头医学院花蕾计划项目(No.HLJH202336);包头市卫生健康科技计划项目(No.wsjkkj2022064)。

摘　　要：目的:基于网络药理学和分子对接,探讨雷公藤片治疗类风湿关节炎的作用机制。方法:基于中药系统药理学数据库与分析平台,检索雷公藤片药材的化学成分和作用靶点;收集GeneCards、DisGeNET数据库中类风湿关节炎的相关靶点;筛选雷公藤片和类风湿关节炎的交集靶点,并构建蛋白质-蛋白质相互作用(PPI)网络;在Cytoscape软件中筛选PPI网络的核心靶点,对核心靶点进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析。结果:筛选得到雷公藤片的30个活性成分和148个靶点,与GeneCards、DisGeNET数据库中类风湿关节炎靶点的交集靶点共有77个。通过Cytoscape软件筛选出23个核心靶点,包括肿瘤坏死因子(TNF)、前列腺素内过氧化物合成酶2、胱天蛋白酶3、基质金属蛋白酶9、立早基因、人体表皮生长因子受体、丝裂原激活的蛋白激酶(MAPK)14和血管内皮生长因子A等,雷公藤甲素、豆甾醇、雷公藤二萜酸、山柰酚和β-谷固醇等为核心化合物。GO功能富集分析得到840条结果,其中生物过程739条,细胞组成29条,分子功能72条。KEGG通路富集得到相关通路133条,结果显示,雷公藤片调节卡波西肉瘤相关疱疹病毒感染、TNF信号通路、破骨细胞分化、白细胞介素17信号通路及MAPK信号通路等多条通路。结论:通过网络药理学探讨了雷公藤片多成分、多靶点、整体调节的作用特点,预测了雷公藤片可能通过抗炎、免疫调节等方面治疗类风湿关节炎。本研究为雷公藤片活性成分的生物学机制研究提供了理论依据。OBJECTIVE:To probe into the mechanism of Leigongteng tablets in the treatment of rheumatoid arthritis based on network pharmacology and molecular docking.METHODS:Chemical components and targets of medicinal materials of Leigongteng tablets were retrieved based on Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.Rheumatoid arthritis related targets were collected in GeneCards and DisGeNET databases.Intersection targets of Leigongteng tablets and rheumatoid arthritis were screened and protein-protein interaction(PPI)network was constructed.The core targets of PPI network were screened in Cytoscape,and gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed on the core targets.RESULTS:The 30 active components and 148 targets of Leigongteng tablets were screened,and there were 77 intersection targets with rheumatoid arthritis targets in GeneCards and DisGeNET.Totally 23 core targets were screened by Cytoscape software,including tumor necrosis factor(TNF),prostaglandin-endoperoxide synthase 2,caspase 3,matrix metalloproteinase 9,Ritogenesis gene,human epidermal growth factor receptor,mitogen activated protein kinase(MAPK)14,and vascular endothelial growth factor A.The core compounds were triptolide,stigmasterol,triptolide diterpene acid,kaempferol andβ-glusterol.GO enrichment 840 results,including 739 biological processes,29 cell composition,and 72 molecular function.KEGG pathway was enriched with 133 related pathways,results showed that Leigongteng tablets regulated Kaposi’s sarcoma-associated herpesvirus infection,TNF signaling pathway,osteoclast differentiation,interleukin-17 signaling pathway and MAPK signaling pathway.CONCLUSIONS:The effects of multiple components,multiple targets and overall regulation of Leigongteng tablets are discussed through network pharmacology.Leigongteng tablets might treat rheumatoid arthritis through anti-inflammatory and immunomodulatory aspects.This study provides th

关 键 词：雷公藤片 类风湿关节炎 网络药理学 

分 类 号：R932[医药卫生—生药学] R96[医药卫生—药学]