引用本文:肖战说1,邹建华2,林建国1,崔炳南1.基于网络药理学与分子对接探讨土茯苓治疗银屑病的作用机制[J].世界中医药,2022,(05):. |
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基于网络药理学与分子对接探讨土茯苓治疗银屑病的作用机制 |
Pharmacological Mechanism of Rhizoma Smilacis Glabrae in Treating Psoriasis Vulgaris Based on Network Pharmacology and Molecular Docking |
投稿时间:2021-02-22 |
DOI:10.3969/j.issn.1673-7202.2022.05.011 |
中文关键词: 土茯苓 银屑病 网络药理学 分子对接 克银方 |
English Keywords:Rhizoma Smilacis Glabrae Psoriasis vulgaris Network pharmacology Molecular docking Keyin prescription |
基金项目:国家自然科学基金项目(81173274);中央本级重大增减支项目(206302);北京市科学技术委员会———首都临床诊疗技术研究及示范应用项目(Z191100006619056),北京市科学技术委员会———首都临床特色应用研究专项(Z161100000516157) |
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中文摘要: |
目的:采用网络药理学方法,探索中药土茯苓治疗寻常型银屑病的“成分-靶点-通路”的调控网络,探讨其作用机制。方法:采用中药系统药理学数据库与分析平台(TCMSP)结合文献报道,筛选土茯苓的活性成分及作用靶点。通过GeneCards数据库、在线人类孟德尔遗传数据库(OMIM)数据库、治疗靶点数据库(TTD)数据库、PharmGkb数据库及DrugBank数据库筛选出寻常型银屑病的相关疾病靶点。运用R语言将药物成分匹配疾病靶点,通过复杂可视化网络平台Cytoscape 3.7.2软件构建“药物-成分-关键靶点-疾病”网络。采用蛋白质-蛋白质相互作用(PPI)网络数据库(STRING)构建靶蛋白PPI网络,找出关键基因,对成分-疾病的交集基因进行基因本体(GO)及京都基因和基因组百科全书(KEGG)通路富集分析。结果:网络分析显示,15个活性成分共涉及有效靶点325个,86条作用通路,预测出12个活性成分、114个靶点蛋白和20条关键通路与寻常银屑病相关。分子对接结果显示核心成分与核心靶点具有较好的结合能。结论:土茯苓可能通过作用于IL-17信号通路及肿瘤坏死因子(TNF)信号通路等相关靶点起到治疗寻常型银屑病的功效,本研究初步揭示了土茯苓治疗寻常银屑病的潜在活性化合物与可能作用机制。 |
English Summary: |
To explore the component-target-pathway regulatory network of Chinese herbal medicine Rhizoma Smilacis Glabrae in the treatment of psoriasis vulgaris by network pharmacology and with the help of R language.Methods:The active components and targets of Rhizoma Smilacis Glabrae were filtered by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) combined with literature research.The targets of psoriasis vulgaris were screened by GeneCards,Online Mendelian Inheritance in Man(OMIM),Therapeutic Target Database(TTD),PharmGkb and DrugBank.The drug component and disease targets were matched using the R language and the drug-component-key target-pathway network was established by Cytoscape 3.7.2.STRING was used to construct the protein-protein interaction(PPI) network,and the key genes were identified by the R language to draw the histogram.Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analysis were conducted on the component-disease intersection targets.Results:There were 15 active components involving 325 valid targets and 86 pathways,among which 12 active components,114 target proteins and 20 key pathways were predicted to be associated with psoriasis vulgaris.Molecular docking displayed that the core components could well bind to the core targets.Conclusion:Rhizoma Smilacis Glabrae may play a role in the treatment of psoriasis vulgaris by acting on tumor necrosis factor(TNF) and IL-17 signaling pathways.This paper preliminarily revealed the potential active components and possible mechanism of Rhizoma Smilacis Glabrae in the treatment of psoriasis vulgaris,and provided theoretical basis for further experimental studies on the basis of pharmacological mechanism. |
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