基于网络药理和分子对接探讨蒙药森登-4汤治疗类风湿关节炎的作用机制  

Exploring the Mechanism of Mongolian Medicine Sendeng-4 Decoction in Treating Rheumatoid Arthritis Based on Network Pharmacology and Molecular Docking

作　　者：赖苏雅拉吐 斯琴格日勒 斯日棍其其格 唐吉思 LAI Suyalatu;Siqingerile;Sirigunqiqige;TANG Jisi(Horqin East Middle County Mongolian Hospital,Tongliao City,Inner Mongolia;Affiliated Hospital of Inner Mongolia Minzu University;Inner Mongolia Minzu University;International Mongolian Hospital of Inner Mongolia)

机构地区：[1]内蒙古通辽市科尔沁左翼中旗蒙医医院,内蒙古通辽029300 [2]内蒙古民族大学附属医院,内蒙古通辽028000 [3]内蒙古民族大学,内蒙古通辽028000 [4]内蒙古自治区国际蒙医医院,内蒙古呼和浩特010020

出　　处：《中国民族医药杂志》2025年第3期35-39,共5页Journal of Medicine and Pharmacy of Chinese Minorities

基　　金：内蒙古通辽市科技计划项目(TLYF2021009)。

摘　　要：目的:基于网络药理和分子对接预测森登-4汤治疗类风湿性关节炎的作用机制。方法:利用TCMSP平台筛选出森登-4汤的活性成分及相关靶点,通过GeneCards、DisGeNET数据库查找相关疾病靶点;获取药物与疾病交集靶点,并用Cytoscape软件选取核心靶点,在DAVID平台获取核心靶点的信息从而构建GO和KEGG通路富集分析。使用AutoDock对活性分子和靶蛋白进行分子对接。结果:筛选得到文冠木7个主要活性成分,靶点21个,诃子7个主要活性成分,靶点20个,秦艽2个主要活性成分,靶点8个,黄柏30个主要活性成分,靶点52个;类风湿关节炎疾病靶点1632个;交集映射获得交集靶点285个。通过插件筛选出53个核心靶点进行GO功能富集分析得到628个条目,包括生物过程条目497个,细胞定位条目51个,分子功能条目80个。通过KEGG通路注释得149条信号通路,如PI3K-Akt信号通路、Th17细胞分化等。分子对接显示,槲皮素、豆甾醇、山奈酚与关键靶蛋白(IL1B、AKT1、TP53、IL6、MMP9等)存在相互作用,且主要通过氢键相互连接。结论:蒙药森登-4汤治疗类风湿性关节炎通过多成分、多靶点、多通路协同起效,为后续的实验验证提供了充分的理论依据。Objective:Based on network pharmacology and molecular docking,predict the mechanism of action of Sendeng-4 decoction in the treatment of rheumatoid arthritis.Method:Using the TCMSP platform to screen the active ingredients and related targets of Sendeng-4 decoction,and searching for related disease targets through GeneCards and DisGeNET databases;Obtain drug disease intersection targets,select core targets using Cytoscape sofware,and obtain information on core targets on the DAVID plaform to construct GO and KECG pathway enrichment analysis.Use AutoDock to perform molecular docking between active molecules and target proteins.Result:Seven main active ingredients were screened from Xanthoceras sorbifolia,with 21 targets,seven main active ingredients from Terminalia chebula Retz,20 targets,two main active ingredients from Gentiana macrophylla,8 targets,and 30 main active ingredients from phellodendron amurense,with 52 targets;1632 targets of rheumatoid arthritis disease;Intersection mapping obtained 285 intersection targets.Through plugin screening,53 core targets were identified for GO functional enrichment analysis,resulting in 628 entries,including 497 biological process entries,51 cell localization entries,and 80 molecular functional entries.149 signaling pathways were annotated through the KECG pathway,such as the PI3K Akt signaling pathway and Th17 cell differentiation.Molecular docking shows that quercetin,stigmasterol,and kaempferol interact with key target proteins(IL1B,AKT1,TP53,IL6,MMP9,etc.),mainly through hydrogen bonding.Conclusion:The treatment of rheumatoid arthritis with Mongolian medicine Sendeng-4 decoction works synergistically through multiple components,targets,and pathways,providing sufficient theoretical basis for subsequent experimental verification.

关 键 词：森登-4汤 类风湿关节炎 网络药理 作用机制 

分 类 号：R965[医药卫生—药理学]