【摘要】 目的:基于网络药理学以及分子对接探讨鱼腥草治疗慢性阻塞性肺疾病(Chronic Obstructive Pulmonary Disease, COPD)的活性成分和潜在作用机制。方法:借助中药系统药理学数据库与分析平台(TCMSP)、Universal Protein(UniProt)数据库筛选鱼腥草活性成分及靶点。通过DisGeNet数据库、Drugbank、Therapeutic Target Database(TTD)、GeneCards数据库获取COPD的疾病相关靶点。利用Venny 2.1.0在线分析工具得到鱼腥草治疗COPD的潜在靶点，应用DAVID网站进行基因本体(GO)和京都基因与基因组百科全书(KEGG)分析，结果用R语言中的ggplot包进行可视化。在String数据库构建PPI网络，通过Cytoscape 3.10.1构建“药物-成分-靶点-疾病”网络图，CytoNCA插件筛选关键靶点。利用AutoDock Tools Version 1.5.7软件对鱼腥草4种成分和鱼腥草治疗COPD的关键靶点进行分子对接。结果:获得鱼腥草有效活性成分4个：槲皮素、山奈酚、异拉马酮、黄夹次甙丙，治疗COPD的潜在靶点105个，关键靶点4个：肿瘤蛋白p53(TP53)、丝氨酸/苏氨酸激酶1(AKT1)、肿瘤坏死因子(TNF)、白介素6(IL-6),主要涉及炎症反应等过程，调控磷脂酰肌醇3-激酶/蛋白激酶B(PI3K/Akt)信号通路等通路。分子对接结果显示鱼腥草的主要活性成分大部分与COPD的受体具有较好的结合力。结论:鱼腥草可能通过槲皮素、山奈酚、异拉马酮、黄夹次甙丙等活性成分，作用于TP53、AKT1、TNF、IL-6等关键靶点，调节PI3K/Akt等通路，发挥抗炎、抗氧化应激、延缓肺气肿进展，改善肺功能等作用，为鱼腥草治疗COPD提供了理论依据。更多还原

【Abstract】 Objective: To explore the active compounds and the potential mechanism of Herba Houttuyniae for the treatment of chronic obstructive pulmonary disease(COPD) by network pharmacology and molecular docking.Methods: TCMSP,Universal Protein(UniProt) were used to search the active components and targets of Herba Houttuyniae.DisGeNet databases, Drugbank, Therapeutic Target Database(TTD),GeneCards databases were used to search the targets of COPD.The Venny 2.1.0 online analysis tool was used to obtain the potential targets of Herba Houttuyniae in the treatment of COPD.The potential targets of gene ontology(GO) analysis and Kyoto encyclopedia of genes and genomes(KEGG) pathway enrichment analysis were conducted through DAVID database, and the results were visualized with the ggplot package in R.The protein-protein interaction of potential targets were searched using STRING database.Cytoscape 3.10.1 software was applied for the construction of the medicine-active components-targets-disease network map, CytoNCA add-ons was used to screen key targets.AutoDock Tools Version 1.5.7 software was used to perform molecular docking of the four components of Herba Houttuyniae and the key targets of Herba Houttuyniae in the treatment of COPD.Results: 4 active components of Herba Houttuyniae were obtained: quercetin, kaempferol, isolamarone, and ruvoside＿qt, 105 potential targets for the treatment of COPD and 4 key targets: tumor protein 53(TP53),protein kinase B(AKT1),tumor necrosis factor(TNF),and lnterleukin-6(IL-6),which are mainly involved in processes such as inflammatory response and regulate pathways such as the phosphoinositide 3-kinase(PI3K)/protein kinase B(Akt) signaling pathway.Molecular docking results show that most of the main active components of Herba Houttuyniae have good binding affinity with COPD receptors.Conclusion: Herba Houttuyniae may act on key targets such as TP53,AKT1,TNF and IL-6 through active components such as quercetin, kaempferol, isolamarone, and ruvoside＿qt, regulate PI3K/Akt signaling pathway and other pathways, exert anti-inflammatory, antioxidative stress, delay the progression of emphysema, and improve lung function, providing a theoretical basis for Herba Houttuyniae in the treatment of COPD.更多还原