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邱心悦,石润玉,袁志鹰,赵洪庆.基于UPLC-Q-TOF-MS/MS和网络药理学探讨百合疏肝安神汤治疗焦虑性抑郁症的作用机制[J].湖南中医药大学学报英文版,2022,42(10):1741-1748.[Click to copy
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| 基于UPLC-Q-TOF-MS/MS和网络药理学探讨百合疏肝安神汤治疗焦虑性抑郁症的作用机制 |
| 邱心悦,石润玉,袁志鹰,赵洪庆 |
| (湖南中医药大学科技创新中心, 湖南 长沙 410208;湖南中医药大学药学院, 湖南 长沙 410208) |
| 摘要: |
| 目的 利用UPLC-Q-TOF-MS/MS技术，通过网络药理学探讨百合疏肝安神汤治疗焦虑性抑郁症的作用机制。方法 通过UPLC-Q-TOF-MS/MS分析百合疏肝安神汤的化学成分，借助TCMSP数据库检索其靶点信息；在GeneCards中以“Anxious Depression”为关键词获得焦虑性抑郁症相关靶点，借助STRING数据库构建蛋白质相互作用（protein-protein interaction, PPI）网络，再利用DAVID数据库进行基因本体论（gene ontology, GO）功能和基因组百科全书（Kyoto encyclopedia of genes and genomes, KEGG）通路富集分析，最后借助Cytoscape 3.8.0构建“活性成分-核心靶点-重要通路”网络。结果 百合疏肝安神汤可能通过肉豆蔻醚、芦丁、紫堇定碱等活性成分作用于PTGS2、IL-6、IL-1β等潜在靶点，通过调控PI3K-Akt、NF-κB等信号通路，在神经元投射、细胞溶质、膜式筏板等区域参与对药物的反应、一氧化氮生物合成过程的正向调节、细胞对雌二醇刺激的反应、血红素结合、NADP绑定、蛋白质同型二聚体活性等过程，发挥抗焦虑性抑郁症作用。结论 本研究揭示了百合疏肝安神汤可通过多成分、多靶点、多通路的协同作用发挥抗焦虑性抑郁症的功效。 |
| 关键词: 焦虑性抑郁症 百合疏肝安神汤 网络药理学 相互作用 靶点 富集分析 |
| DOI：10.3969/j.issn.1674-070X.2022.10.025 |
| Received:March 08, 2022 |
| 基金项目:国家科技重大专项-重大新药创制项目（2017ZX09309026）；国家自然科学基金项目（81703694，82104836）；国家级大学生创新创业训练计划项目（S202110541052）；湖南中医药大学中医学一流学科开放基金项目（2022ZYX18）。 |
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| Investigating the anti-anxious-depression mechanism of Baihe Shugan Anshen Decoction based on UPLC-Q-TOF-MS/MS and network pharmacology |
| QIU Xinyue,SHI Runyu,YUAN Zhiying,ZHAO Hongqing |
| (Science and Technology Innovation Center, Hunan University of Chinese Medicine, Changsha, Hunan 410208, China;School of Pharmacy, Hunan University of Chinese Medicine, Changsha, Hunan 410208, China) |
| Abstract: |
| Objective To investigate the mechanism of Baihe Shugan Anshen Decoction in the treatment of anxious depression based on UPLC-Q-TOF-MS/MS technology combined with network pharmacology. Methods We analyzed the chemical compositions of Baihe Shugan Anshen Decoction by UPLC-Q-TOF-MS/MS, retrieved the target information via the TCMSP database and obtained the related targets of anxious depression by searching GeneCards with the keyword of "Anxious Depression"; the protein-protein interaction (PPI) network was established with the string database; we analyzed the gene ontology (GO) function and the Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment based on the DAVID database; finally, the network of "active ingredient-core target-important pathway" was constructed by Cytoscape 3.8.0. Results Baihe Shugan Anshen Decoction acted on PTGS2, IL-6, IL-1β, and other potential targets via active ingredients including myristicin, rutin, and corydine, and it regulated PI3K-AKT, NF-κB and other signal pathways. In areas such as neuron projection, cytosol, membrane raft, Baihe Shugan Anshen Decoction may participate in the response to drug, the positive regulation of nitric oxide biosynthesis, cellular response to lipopolysaccharide, heme binding, NADP binding, and protein homodimer activity, etc. and thus taking an anti-anxious-depression effect. Conclusion This study revealed that Baihe Shugan Anshen Decoction may exert its anti-anxious-depression effect based on the synergistic effect of multiple components, multiple targets and multiple pathways. |
| Key words: anxious depression Baihe Shugan Anshen Decoction network pharmacology interaction target enrichment analysis |
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