基于网络药理学和分子对接技术探讨过敏煎治疗儿童哮喘的作用机制-《西部中医药》

文章信息/Info

Title:: Exploration into the Mechanism of Treating Asthma in Children with Guominjian Based on Network Pharmacology and Molecular Docking

Author(s):: DUAN Mengmeng¹, ZHANG Baoqing²; 1.Shandong University of Traditional Chinese Medicine, Jinan 250014, China
2.Affiliated Hospital to Shandong University of Traditional Chinese Medicine, Jinan 250014, China

摘要:: 目的探究过敏煎治疗儿童哮喘的作用机制。方法利用中药系统药理学数据库与分析平台数据库检索过敏煎中的药物活性成分及相关靶点，整理中药活性成分-疾病有效靶点，获取蛋白-蛋白互作网络，进行拓扑分析，进一步进行基因本体论及京都基因与基因组百科全书富集分析。将处理后的活性成分作为小分子配体，蛋白靶点作为受体进行分子对接，将分子对接结果进行可视化分析。结果共得到过敏煎54个有效活性成分，137个潜在靶点，157条信号通路。结论过敏煎中槲皮素、山柰酚、汉黄芩素等有效成分可能通过神经营养的酪氨酸激酶1型受体、淀粉样前体蛋白、表皮生长因子受体等核心靶点作用于PI3K/Akt，AGE/RAGE、肿瘤坏死因子、白细胞介素17等信号通路，形成多成分、多靶点、多通路的治疗特点，从而发挥治疗哮喘的作用。

Abstract:: ObjectiveTo discuss the mechanism of treating asthma in children with Guominjian. MethodsThe active ingredients and the targets of Guominjian were searched from traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP), the active ingredients of herbs-effective targets of the disease were sorted out to obtain protein-protein interaction (PPI) network, perform topology analysis and further conduct GO and KEGG pathway enrichment analysis. The processed active ingredients were used as small molecule ligands and protein targets as receptors for molecular docking, and the visual analysis of the molecular docking results was performed. ResultsAll 54 effective active ingredients of Guominjian were obtained, involving 137 potential targets and 157 signaling pathway. ConclusionThe active ingredients including quercetin, kaem-pferol, wogonin contained in Guominjian could act on PI3K/Akt, AGE/RAGE, tumor necrosis factor, IL-17 and others possibly via the core targets such as neurotrophic tyrosine kinase type 1 receptor, amyloid precursor protein and epidermal growth factor receptor, forming the therapeutic characteristics of multi-ingredient, multi-target and multi-pathway, thus treating asthma.

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