| 基于网络药理学和分子对接探究三拗片治疗急性支气管炎分子作用机制 |
| 投稿时间：2020-07-17 点此下载全文
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| 引用本文：滕龙飞,陈佳丽,周庆伟,王镓.基于网络药理学和分子对接探究三拗片治疗急性支气管炎分子作用机制[J].中国现代中药,2021,23(8):1399-1405 |
| DOI：10.13313/j.issn.1673-4890.20200717008 |
| 摘要点击次数: 774 |
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| 作者中文名 | 作者英文名 | 单位中文名 | 单位英文名 | E-Mail |
| 滕龙飞 |
TENG Long-fei |
河南中医药大学 第一临床医学院，河南 郑州 450046 |
The First Clinical Medical College of Henan University of Chinese Medicine, Zhengzhou 450046, China |
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| 陈佳丽 |
CHEN Jia-li |
河南中医药大学 第一临床医学院，河南 郑州 450046 |
The First Clinical Medical College of Henan University of Chinese Medicine, Zhengzhou 450046, China |
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| 周庆伟 |
ZHOU Qing-wei |
河南中医药大学 第一附属医院 呼吸内科，河南 郑州 450000 |
Department of Respiratory Medicine, the First Affiliated Hospital of Henan University of Chinese Medicine, Zhengzhou 450000, China |
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| 王镓 |
WANG Jia |
河南中医药大学 基础医学院，河南 郑州 450000 |
School of Basic Medicine, Henan University of Chinese Medicine, Zhengzhou 450000, China |
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| 基金项目:河南省中医药科学研究专项（2017ZY2063，2019ZY1011） |
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| 中文摘要:目的 通过网络药理学和分子对接方法探究三拗片治疗急性支气管炎的潜在活性成分及作用机制。方法 通过中药系统药理学数据库与分析平台（TCMSP）筛选三拗片活性成分和靶点，与GeneCards、OMIM、DrugBank数据库中急性支气管炎基因集相互映射获取共同靶点；利用STRING数据库构建蛋白质-蛋白质相互作用（PPI）网络，筛选核心靶点；依托DAVID平台对共同靶点进行基因本体（GO）生物学过程及京都基因与基因组百科全书（KEGG）通路富集分析，以了解共同靶点集的生物学作用；通过分子对接结果验证PPI网络核心靶点。结果 获得三拗片活性成分124个；三拗片治疗急性支气管炎靶点103个，其中核心靶点5个；GO生物学过程575条，涉及凋亡过程、炎症反应、细胞增殖、信号转导等生物过程；KEGG通路117条，三拗片可能通过干预磷脂酰肌醇3-激酶/蛋白激酶B（PI3K/Akt）信号通路、肿瘤坏死因子（TNF）信号通路、流感、丝裂原活化蛋白激酶（MAPK）信号通路、Toll样受体信号通路、缺氧诱导因子1（HIF-1）信号通路发挥治疗急性支气管炎作用；分子对接结果显示，三拗片中槲皮素、山柰酚、木犀草素、β-谷甾醇、柚皮素、芒柄花黄素、甘草查耳酮A均能较好地与急性支气管炎靶蛋白结合，可能通过作用于细胞肿瘤抗原p53（TP53）、Akt1、白细胞介素-6（IL-6）、TNF、血管内皮生长因子A（VEGFA）靶点发挥作用。结论 三拗片活性化合物可能从结构上作用于支气管，共同参与抗炎、平衡细胞因子、免疫调节、抗病毒抑菌而发挥治疗作用。 |
| 中文关键词:三拗片 急性支气管炎 分子对接 网络药理学 |
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| Molecular Mechanism of San'ao Pian in Treatment of Acute Bronchitis Based on Network Pharmacology and Molecular Docking |
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| Abstract:Objective To explore the potential active components and mechanism of San'ao Pian in the treatment of acute bronchitis by network pharmacology and molecular docking.Methods The active components and targets of San'ao Pian were retrieved from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and mapped with the gene sets of acute bronchitis in GeneCards, OMIM, and Drugbank to yield the common targets of the disease and the medicine. Meanwhile, protein-protein interaction (PPI) network was constructed with STRING to screen hub genes, followed by gene ontology (GO) term enrichment and kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment of the common targets in Database for Annotation, Visualization and Integrated Discovery (DAVID). The hub genes of PPI network were verified by molecular docking.Results A total of 124 active components of San'ao Pian and 103 targets related to the treatment of acute bronchitis were retrieved, including 5 hub genes. The common targets involved 575 GO terms, such as apoptosis, inflammatory response, cell proliferation, and signal transduction, and 117 KEGG pathways, including the phosphatidylinositol 3-kinase (PI3K)-Akt signaling pathway, tumor necrosis factor (TNF) signaling pathway, influenza A, mitogen activated protein kinase (MAPK) signaling pathway, Toll-like receptor signaling pathway, and hypoxia inducible factor 1 (HIF-1) signaling pathway. The results of molecular docking showed that quercetin, kaempferol, luteolin, β-sitosterol, naringenin, formononetin, and licochalcone A of San'ao Pian bound to the target proteins of acute bronchitis, such as the cellular tumor antigen p53 (TP53), protein kinase B1 (Akt1), interleukin-6 (IL-6), TNF, and vascular endothelial growth factor A (VEGFA).Conclusion The key compounds of San'ao Pian may act on acute bronchitis by anti-inflammation, balancing cytokines, immune regulation, anti-virus, and bacteriostasis. |
| keywords:San'ao Pian acute bronchitis molecular docking network pharmacology |
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