| 引用本文:杨婧雯1，巩子汉1，孟丹华1，梁文青2，梁媛1.基于网络药理学研究逍遥散治疗脑卒中后抑郁的作用机制[J].世界中医药,2023,(07):. |
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| 基于网络药理学研究逍遥散治疗脑卒中后抑郁的作用机制 |
| Mechanism of Xiaoyao Powder in the Treatment of Post-stroke Depression Based on Network Pharmacology |
| 投稿时间：2022-07-30 |
| DOI：10.3969/j.issn.1673-7202.2023.07.010 |
| 中文关键词: 网络药理学 分子对接 逍遥散 脑卒中 抑郁 JAK/STAT信号通路 炎症 氧化应激 |
| English Keywords:Network pharmacology Molecular docking Xiaoyao Powder Stroke Depression JAK/STAT signaling pathway Inflammation Oxidative stress |
| 基金项目:国家自然科学基金面上项目（82174251）——母婴分离小鼠“二次打击”抑郁模型虚郁形成机制研究；中国中医科学院基本科研业务费优秀青年科技人才（创新类）培养专项（ZZ-13-YQ072）——逍遥散调节小鼠神经免疫的实验研究 |
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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逍遥散治疗脑卒中后抑郁（PSD）的相关分子机制。方法：从中药系统药理学数据库及分析平台（TCMSP）、成分靶点预测数据库（Swiss Target Prediction）和药效预测靶点数据库(Phar Mapper)获取逍遥散的主要活性成分及作用靶点，通过药物数据库（DrugBank）、基因数据库(GeneCards)、在线人类孟德尔遗传病数据库(OMIM)获取疾病靶点，取交集得到药物成分-疾病交集靶点。利用STRING数据库进行蛋白质-蛋白质相互作用（PPI）分析，Cytoscape软件筛选得到核心靶点与核心成分。采用Metascape平台进行基因本体（GO）通路富集分析与京都基因与基因组百科全书（KEGG）通路富集分析，Autodock Vina平台进行分子对接。结果：逍遥散的核心成分有山柰酚、柚皮素、异鼠李素、14-乙酰-12-senecioyl-2E,8E,10E-白术三醇、槲皮素等，核心靶点为肿瘤坏死因子（TNF）、白蛋白（ALB）、蛋白激酶B（AKT1）、抑癌基因肿瘤蛋白53（TP53）、血管内皮生长因子A（VEGFA）等，主要通路涉及癌症通路、蛋白酪氨酸激酶-信号转导及转录激活因子(JAK-STAT)信号通路等。分子对接结果显示柚皮素和异鼠李素与ALB结合最为稳定。结论：逍遥散具有治疗PSD的作用，其作用机制可能与通过TNF、AKT1、ALB核心靶点、调控核心JAK/STAT信号通路，进而改善炎症与氧化应激等生物学过程有关。 |
| English Summary: |
| To explore the molecular mechanism of Xiaoyao Powder in the treatment of post-stroke depression(PSD) based on network pharmacology and molecular docking.Methods:The main active components and targets of Xiaoyao Powder were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)，Swiss Target Prediction，and PharmMapper.The disease targets were obtained from the DrugBank，GeneCards，and Online Mendelian Inheritance in Man(OMIM).Then the component-disease intersection targets were obtained.STRING database was used for protein-protein interaction(PPI) analysis，and Cytoscape software was used to screen the core targets and core components.Metascape platform was used for Gene Ontology(GO) functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analyses，and Autodock Vina platform was used for molecular docking.Results:The core components of Xiaoyao Powder included kaempferol，naringenin，isorhamnetin，14-acetyl-12-senecioyl-2E，8E，10E-atractyltriol，and quercetin.The core targets included tumor necrosis factor(TNF)，albumin(ALB)，protein kinase B(AKT1)，tumor suppressor gene 53(TP53)，and vascular endothelial growth factor A(VEGFA).The main pathways involved the cancer pathway and Janus kinase(JAK)/signal transducer and activator of transcription protein(STAT) signaling pathway.Molecular docking results showed that naringenin and isorhamnetin bound to ALB most stably.Conclusion:Xiaoyao Powder has a therapeutic effect on PSD，and its mechanism may be related to the regulation of the JAK/STAT pathway through the core targets of TNF，AKT1，and ALB，thereby improving the biological processes such as inflammation and oxidative stress. |
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