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槟榔–草果–厚朴治疗上呼吸道感染作用机制的网络药理学研究
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Abstract:
目的：通过网络药理学探究槟榔–草果–厚朴治疗上呼吸道感染的潜在作用机制。方法：从TCMSP、BATMAN-TCM和Swiss Target Prediction数据库中搜集活性成分和作用靶点，从Gene Cards数据库中搜集上呼吸道感染相关靶点。通过Venny2.1.0平台得到两者的共同靶点，并通过STRING11.0数据库和Cytoscape3.7.1构建PPI。用Cytoscape3.7.1筛选主要活性成分和核心靶点，再用Metascape数据库和CB-Dock数据库完成富集分析和分子对接，最后用微生信进行可视化处理。结果：共得到16个活性成分和190个共同靶点，根据Degree值，Quercetin、Procyanidin B1、Daucosterol_qt、Eucalyptol、Neohesperidin等10个为主要活性成分和TNF、MMP-9、STAT3、AKT1、TGFB1、PTGS2等10个为核心靶点；富集分析提示药物可能通过影响多生物过程、细胞组分及分子功能，及PI3K-AKT信号通路、松弛素信号通路、NF-κB信号通路、cAMP信号通路、FoxO信号通路等发挥作用；分子对接显示主要活性成分与核心靶点具有结合性，且大部分结合性强烈。结论：槟榔–草果–厚朴治疗上呼吸道感染的潜在作用机制涉及抗病毒、抗炎和增强免疫力三方面。
Objective: To explore the potential mechanism of Areca catechu-Amomumtsaoko-Magnolia officinalis in the treatment of upper respiratory tract infection through network pharmacology. Methods: The active components and targets of drugs were collected from TCMSP, BATMAN-TCM and SwissTargetPrediction databases, and the targets related to upper respiratory tract infection were collected from GeneCards database. Through Venny2.1.0 platform, the common targets of the two are obtained, and PPI is constructed through STRING11.0 database and Cytoscape 3.7.1. The main active components and core targets were screened by Cytoscape 3.7.1, and then the enrichment analysis and molecular docking were completed by Metascape database and CB-Dock database, and finally the visualization was carried out by micro-signal. Results: A total of 16 active components and 190 common targets were obtained. According to the Degree value, 10 active components such as Quercetin, Procyanidin B1, Daucosterol_qt, Eucalyptol and Neohesperidin were the main active components and 10 core targets such as TNF, MMP-9, STAT3, AKT1, TGFB1 and PTGS2. Enrichment analysis suggests that drugs may play a role by affecting multi-biological processes, cell components and molecular functions, PI3K-AKT signaling pathway, relaxin signaling pathway, NF-κB signaling pathway, cAMP signaling pathway and FoxO signaling pathway. Molecular docking shows that the main active components are bound to the core targets, and most of them are strongly bound. Conclusion: The potential mechanism of Areca catechu-Amomumtsaoko-Magnolia officinalis in treating upper respiratory tract infection involves antivirus, anti-inflammation and enhancing immunity.
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