| 引用本文:刘琪琪1，王春柳2，支文冰2，刘洋2，李纯1，周洁1，张红2，宗时宇2，赵一丁2，李晔1,2.基于网络药理学和分子对接技术探讨药对赤芍-牡丹皮治疗银屑病的作用机制[J].世界中医药,2021,(14):. |
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| 基于网络药理学和分子对接技术探讨药对赤芍-牡丹皮治疗银屑病的作用机制 |
| Pharmacological Mechanism of the Drug Pair Paeoniae Rubra Radix-Cortex Moutan in the Treatment of Psoriasis Based on Network Pharmacology |
| 投稿时间：2020-08-26 |
| DOI：10.3969/j.issn.1673-7202.2021.14.001 |
| 中文关键词: 银屑病 网络药理学 分子对接 赤芍-牡丹皮 |
| English Keywords:Psoriasis Network pharmacology Molecular docking Paeoniae Rubra Radix-Cortex moutan |
| 基金项目:国家重点研发计划“中医药现代化研究重点专项”(2018YFC1705303);陕西省重点研发计划项目(2018SF-272) |
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| 中文摘要: |
| 目的:基于网络药理学和分子对接技术研究赤芍-牡丹皮药对治疗银屑病的作用机制。方法:利用中药系统药理学数据库与分析平台(TCMSP)数据库检索赤芍-牡丹皮的化学成分及其相关靶点,利用DisGeNET数据库检索银屑病相关靶点,通过Venny 2.1.0映射得到赤芍-牡丹皮治疗银屑病的交集靶点,利用STRING数据库及Cytoscape3.7.1构建交集靶点蛋白质-蛋白质相互作用（PPI）,利用R语言进行基因本体(GO)富集分析和京都基因和基因组百科全书(KEGG)富集分析;利用Cytoscape3.7.1软件构建网络互作图。采用AutoDock4.2.1软件评价主要药效成分与核心靶点的结合作用力。结果:筛选得到赤芍-牡丹皮药对通过11个活性成分作用于70个交集靶点,通过调控细胞的氧化刺激反应和生物刺激反应等生物过程以及丝裂原活化蛋白激酶(MAPK)通路、辅助性T细胞17(TH17)细胞分化等相关途径共同发挥治疗银屑病作用。分子对接结果表明,赤芍-牡丹皮中槲皮素(Quercetin)、芍药苷(Paeoniflorin)、山柰酚(Kaempferol)、芍药醇(Baicalein)与AKT1、VEGFA、MAPK1、MAPK8、AKT1、JUN、TNF具有较好的结合能力。结论:通过网络药理学和分子对接技术系统地探讨赤芍-牡丹皮药对治疗银屑病的作用机制,为后期的实验提供了理论依据。 |
| English Summary: |
| To explore the mechanism of the treatment of psoriasis by Paeoniae Rubra Radix-Cortex moutan by basing on network pharmacology.Methods:In this experiment,the active components and related targets of Paeoniae Rubra Radix-Cortex moutan were searched by TCMSP database,and the targets related to psoriasis were searched by DisGeNET database.The intersecting targets of Paeoniae Rubra Radix-Cortex moutan in the treatment of Psoriasis were obtained by Venny 2.1.0 mapping,and the interaction network map of intersecting targets was constructed by STRING database and Cytoscape3.7.1.(PPI); R language was used for gene ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis.The network interaction diagram was constructed by using Cytoscape3.7.1 software.AutoDock 4.2.1 software was used to evaluate the binding force of the main medicinal ingredients and the core target.Results:In this experiment,11 active components and 70 targets of Paeoniae Rubra Radix-Cortex moutan in the treatment of psoriasis were obtained.By regulating the biological processes such as oxidative stimulation and biological stimulation of cells,as well as related pathways such as the mitogen-activated protein kinase (MAPK) pathway,helper T cell 17 (TH17) cell differentiation and other related pathways,they played a role in the treatment of psoriasis.The molecular docking results showed that Quercetin,Paeoniflorin,Kaempferol,Baicalein and AKT1,VEGFA,MAPK1,MAPK8,AKT1,JUN,TNF in the red peony cortex has good binding ability.Conclusion:Through the method of network pharmacology,this experiment systematically discusses the mechanism of Paeoniae Rubra Radix-Cortex moutan in the treatment of psoriasis,which provides a theoretical basis for the later experiment. |
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