基于网络药理学和分子对接技术探讨茯苓泽泻片的减肥功能及机制  

Research on the Weight Loss Function and Mechanism of Tuckahoe Sawa Diarrhea Tablets Based on Network Pharmacology and Molecular Docking Technology

作　　者：高晓新 曹春然 李雪梅 GAO Xiao-xin;CAO Chun-ran;LI Xue-mei(Beijing Institute for Drug Control,NMPA Key Laboratory for Safety Research and Evaluation of Innovative Drug,Beijing Key Laboratory of Analysis and Evaluation on Chinese Medicine,Beijing,102206,China)

机构地区：[1]北京市药品检验研究院,国家药品监督管理局创新药物安全研究与评价重点实验室,中药成分分析与生物评价北京市重点实验室,北京102206

出　　处：《神经药理学报》2024年第2期14-19,共6页Acta Neuropharmacologica

基　　金：国家重点研发计划项目(No.2018YFC1706802)。

摘　　要：目的:利用网络药理学和分子对接技术探究茯苓泽泻片的减肥作用及机制。方法:根据中医证型和用药经验辩证组方,通过TCMSP数据库和UniProt数据库收集茯苓泽泻片的活性成分和作用靶点;利用DrugBank、OMIM数据库和GeneCards数据库获取肥胖相关靶点;使用venn diagram得到茯苓泽泻片治疗肥胖的靶点;STRING数据库构建靶蛋白相互作用网络;运用Cytoscape 3.7.2软件构建“药物-成分-关键靶点”网络;利用Metescape数据库对关键靶点进行京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)富集分析;最后使用PyMOL 2.2和Autodock Tools 1.5.6软件对核心靶点和核心成分进行分子对接。结果:经过拓扑分析,共得到52个关键靶点,PTGS2、PPARG可能是茯苓治疗肥胖的重要靶点;KEGG分析中,Insulin resistance、HIF-1 signaling pathway、PI3K-Akt signaling pathway、Adipocytokine signaling pathway治疗肥胖密切相关;分子对接显示了槲皮素与PTGS2、PPARG对接结果良好,表明槲皮素可能是茯苓泽泻片治疗肥胖的关键成分。结论:茯苓泽泻片对脾虚阴阻肥胖具有减肥功能,主要相关成分为槲皮素,并通过多靶点多途径实现减肥功能。Objective:Network pharmacology and molecular docking technology combined with TCM dialectical formula were used to explore the weight loss effect and mechanism of tuckahoe sawa diarrhea tablets.Methods:According to the TCM syndrome type and medication experience,the active ingredients and targets of Poringze laxative tablets were collected through TCMSP database and UniProt database.DrugBank,OMIM database and GeneCards database were used to obtain obesity-related targets;The use of venn diagram to obtain the target of poria laxative tablets in the treatment of obesity;The STRING database constructs the target protein interaction network;Using Cytoscape 3.7.2 software to build a"drug-ingredient-key target"network;KEGG enrichment analysis of key targets was carried out by Metescape database.Finally use PyMOL 2.2 and Autodock Tools 1.5.6 software to carry out molecular docking of core targets and core components.Results:After topological analysis,a total of 52 key targets were obtained,and PTGS2 and PPARG may be important targets for the treatment of obesity by poria.In KEGG analysis,Insulin resistance,HIF-1 signaling pathway,PI3K-Akt signaling pathway,and Adipocytokine signaling pathway were closely related to the treatment of obesity.Molecular docking showed good results of quercetin docking with PTGS2 and PPARG,indicating that quercetin may be a key component of tuckahoe sawa diarrhea tablets in the treatment of obesity.Conclusion:tuckahoe sawa diarrhea tablets have the function of slimming in spleen deficiency and obstructive obesity,and realize the function of weight loss through multiple targets and multiple pathways.

关 键 词：茯苓泽泻片 网络药理学 分子对接 肥胖 减肥 

分 类 号：R289.1[医药卫生—方剂学]