| 摘要: |
| 目的：采用网络药理学及分子模拟对接的研究方法探讨十味温胆汤治疗心绞痛的潜在作用机制。方法：通过TCMSP、TCMID数据库获取十味温胆汤组方（半夏、陈皮、茯苓、黄芪、人参、熟地黄、酸枣仁、五味子、远志、枳实）的有效成分及对应的靶蛋白;使用GeneCard、OMIM数据库筛选出与心绞痛密切相关的作用靶点。运用CytoScape软件构建中药-组分-靶点网络图，运用STRING数据库构建蛋白质-蛋白质相互作用（PPI）网络图。利用R软件对中药-疾病交集靶点进行基因本体（GO）功能及京都基因与基因组百科全书（KEGG）通路富集分析。结果:十味温胆汤治疗心绞痛的核心药物成分是柚皮素、山柰酚、β-谷甾醇、槲皮素、川陈皮素等;核心靶点有肿瘤坏死因子(TNF)、丝氨酸/苏氨酸蛋白激酶(AKT1)、白细胞介素-6(IL-6)、血管内皮生长因子A(VEGFA)、白细胞介素-1β(IL-1β)等;十味温胆汤主要通过晚期糖基化终产物受体（AGE-RAGE）、脂质代谢、流体剪切应力、前列腺癌、乙型肝炎等信号通路来治疗心绞痛;分子模拟对接结果显示，十味温胆汤中槲皮素、山柰酚与Akt1、TNF均能实现较好的结合。结论：十味温胆汤可能通过调控细胞增殖与凋亡、血管生成、炎症反应、抗氧化应激等作用协同治疗心绞痛。 |
| 关键词: 心绞痛 十味温胆汤 网络药理学 分子对接 |
| DOI： |
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| Mechanism of action of Shiwei Wendan decoction in treatment of angina pectoris: A study based on network pharmacology and molecular docking |
| YANG Xueying,CHEN Cong |
| (The Second Affiliated Hospital of Hunan University of Chinese Medicine，Changsha 410005，Hunan，China;Hunan University of Chinese Medicine，Changsha 410208，Hunan，China) |
| Abstract: |
| Objective: To investigate the potential mechanism of action of Shiwei Wendan decoction in the treatment of angina pectoris based on network pharmacology and molecular docking.Methods: TCMSP and TCMID databases were used to obtain the effective constituents of Shiwei Wendan decoction (Pinellia ternata，tangerine peel，Poria cocos，Astragalus membranaceus，Panax ginseng，prepared Radix Rehmanniae，Semen Ziziphi Spinosae，Schisandra chinensis，Polygala tenuifolia，and Fructus Aurantii Immaturus) and their corresponding target proteins，and GeneCard and OMIM databases were used to identify the action targets closely associated with angina pectoris.CytoScape software was used to construct a traditional Chinese medicine-component-target network，and STRING database was used to construct a protein-protein interaction network.R software was used to perform the gene ontology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of the traditional Chinese medicine-disease intersecting targets.Results: The core components of Shiwei Wendan decoction in the treatment of angina pectoris included naringenin，kaempferol，beta-sitosterol，quercetin，and nobiletin，and core targets included TNF，AKT1，IL-6，VEGFA，and IL-1β.Shiwei Wendan decoction exerted a therapeutic effect on angina pectoris via the signaling pathways including AGE-RAGE，lipid metabolism，fluid shear stress，prostate cancer，and hepatitis B.Molecular docking showed that quercetin and kaempferol in Shiwei Wendan decoction could well bind to Akt1 and TNF.Conclusion: Shiwei Wendan decoction exerts a therapeutic effect on angina pectoris by regulating cell proliferation and apoptosis，angiogenesis，inflammatory response，and oxidative stress. |
| Key words: angina pectoris Shiwei Wendan decoction network pharmacology molecular docking |
