基于网络药理学和分子对接方法研究舒和胶囊治疗高尿酸血症的作用机制  

A study on the mechanism of the Shuhe granules in the treatment of hyperuricemia based on network pharmacology and molecular docking

作　　者：曾艳平 吕雄[2] 邵紫欣 莫伟[2] 毕建璐[2] ZENG Yanping

机构地区：[1]广州中医药大学第五临床医学院,广东广州510095 [2]广东省第二中医院,广东广州510095

出　　处：《中医临床研究》2025年第2期29-37,共9页Clinical Journal Of Chinese Medicine

基　　金：广东省中医药局项目(20221027);广州市科技计划项目(201904010194);国家中医药管理局全国名老中医药专家传承工作室建设项目(国中医药人教发[2013]47号)。

摘　　要：目的:采用网络药理学和分子对接方法探讨并验证舒和胶囊治疗高尿酸血症的作用机制。方法:通过中药系统药理学数据库与分析平台(TCMSP)、文献查找和中医药百科全书数据库(ETCM)筛选舒和胶囊活性成分并获取潜在作用靶点;通过GeneCards和DisGeNET数据库获取高尿酸血症相关靶点;利用Venny在线工具映射药物与疾病交集靶点,即潜在的作用靶点。将交集靶点上传至STRING数据平台构建蛋白质–蛋白质相互作用网络和Cytoscape 3.9.0软件构建疾病与药物相互作用网络。再应用Metascape数据平台对作用靶点进行基因本体论(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析。最后使用分子对接程序对主要活性成分和关键靶点的结合能力进行验证。结果:筛选出舒和胶囊潜在靶点496个,高尿酸血症相关作用靶点340个,药物与疾病交集靶点52个。核心靶点包括过氧化物酶体增殖物激活受体γ(Peroxisome Proliferator Activated Receptor Gamma,PPARG)、肿瘤坏死因子(Tumor Necrosis Factor,TNF)、白细胞介素(Interleukin,IL)–10等;筛选出活性成分65个,主要包括槲皮素、山柰酚、木犀草素等。生物功能分析获得信号通路133条,包括晚期糖基化终末产物与其受体(Advanced Glycation End product–Receptor for Advanced Glycation End Products,AGE–RAGE)、T细胞受体(T Cell Receptor,TCR)、脂肪细胞因子、PPARG信号通路等。分子对接结果表明,主要活性成分与主要靶点之间存在高结合活性的分子结合位点。结论:舒和胶囊可能通过多靶点、多通路的方式抗炎及改善细胞氧化应激等,从而达到治疗高尿酸血症的效果。Objective:To explore the mechanism of action of the Shuhe granules(舒和胶囊)in the treatment of hyperuricemia based on network pharmacology and molecular docking.Methods:TCMSP ETCM and literature search were used to screen active ingredients and obtain potential action targets.The targets related to hyperuricemia were obtained from GeneCards and DisGeNET databases.Venny online tool was used to map the drug-disease intersection targets,namely the potential targets.The intersection targets were uploaded to the STRING data platform to construct the protein protein interaction(PPI)network and Cytoscape 3.9.0 software to construct the disease drug interaction network.Then the gene ontology function and KEGG pathway enrichment analysis of the target were performed by using Metascape data platform.Finally,the molecular docking program was used to verify the binding ability of the main active ingredients and key targets.Results:A total of 496 potential targets of the Shuhe granules,Three hundred and forty hyperuricemia related targets and 52 drug disease intersection targets were screened.The core targets included PPARG,TNF,IL-10,etc.Sixty-five active ingredients were screened.And the main active ingredients included quercetin,kaempferol,luteolin,etc.Biofunctional analysis obtained 133 signaling pathways,including AGE-RAGE,HIF-1,TCR,etc.The molecular docking results showed that there were molecular binding sites between the key active ingredients and the core targets with strong binding activity.Conclusion:The Shuhe granules may achieve the effect on hyperuricemia by anti-inflammatory and improving cell oxidative stress through multiple targets and multiple pathways.

关 键 词：舒和胶囊 高尿酸血症 网络药理学 分子对接 作用机制 

分 类 号：R58[医药卫生—内分泌]