基于网络药理学探讨萹蓄–瞿麦药对治疗尿路感染的作用机制

Exploring the Mechanism of Action of Bianxu-Qumai Medicine in the Treatment of Urinary Tract Infections Based on Network Pharmacology

摘要: 目的：通过网络药理学方法探讨萹蓄–瞿麦药对治疗尿路感染的作用机制。方法：运用TCMSP数据库和Unit Prot数据库筛选萹蓄–瞿麦药对的活性成分和对应靶点，从GeneCards、Drug Bank和TTD数据库获取尿路感染的疾病靶点。利用Venny (韦恩)平台获取药物活性成分与疾病交集靶点。通过Cytoscape软件，建立“中药–活性成分–靶点–疾病”的网络模型。利用String数据库构建蛋白质相互作用网络，筛选核心靶点，建立核心靶点网络图。在David数据库中进行交集靶点的GO功能富集分析和KEGG通路富集分析。结果：获得10个萹蓄–瞿麦药对主要活性成分及169个对应靶点；尿路感染对应靶点1170个，交集靶点104个，核心靶点26个。主要活性成分有(+)–儿茶素、槲皮素、山奈酚等。核心靶点有AKT1、TNF、IL6等。GO功能富集分析结果主要涉及细胞增殖正调控、基因表达正调控、凋亡过程负调控等过程；KEGG通路富集分析主要集中于癌症通路、糖基化终末产物–β–淀粉样蛋白信号通路与糖尿病并发症、脂质与动脉粥样硬化等多条信号通路。结论：本研究初步揭示了“萹蓄–瞿麦”药对以结合多成分、多靶点，多通路调控的特征发挥治疗UTI作用。

Abstract: Objective: Exploring the mechanism of action of Bianxu-Qumai medication in the treatment of urinary tract infections through a network pharmacology approach. Method: The TCMSP and Unit Prot databases were used to screen the active ingredients and corresponding targets of Bianxu-Qumai drug pair, and the Gene Cards, Drug Bank and TTD databases were used to obtain the disease targets of urinary tract infections. The Venny platform was utilized to obtain drug active ingredients and disease intersecting targets. Using Cytoscape software, the network model of “TCM-active ingredient-target-disease” was established. The String database was used to construct the protein interaction network, screen the core targets, and establish the core target network diagram. Conduct GO function enrichment analysis and KEGG pathway enrichment analysis of the intersected targets in David database. Result: Ten main active ingredients of Bianxu-Qumai pairs and 169 corresponding targets were obtained; 1170 corresponding targets acting on urinary tract infections, 104 intersecting targets and 26 core targets. The main active ingredients were (+)-catechin, quercetin, and kaempferol. The core targets were AKT1, TNF, IL6, etc. The results of GO functional enrichment analysis mainly involved the positive regulation of cell value-added, positive regulation of gene expression, negative regulation of apoptotic process, etc. The KEGG pathway enrichment analysis mainly focused on multiple signaling pathways, such as cancer pathway, glycosylation end-product-beta-amyloid signaling pathway with diabetic complications, lipids and atherosclerosis. Conclusion: This study initially reveals that the drug pair “Bianxu-Qumai” plays a therapeutic role in the treatment of UTI by combining the characteristics of multi-components, multi-targets, and multi-pathway modulation.