基于网络药理学探究苓甘五味姜辛半夏汤治疗咳嗽的作用机制

Exploring the Mechanism of Linggan Wuwei Jiangxin Banxia Decoction in Cough Treatment: A Network Pharmacology and Molecular Docking Study

摘要: 目的：采用网络药理学探究苓甘五味姜辛半夏汤治疗咳嗽的潜在作用机制。方法：从TCMSP、Herb和SwissTargetPrediction收集药物成分和作用靶点。从GeneCards、OMIM、TTD和DRUGBANK获得咳嗽靶点。通过Venny2.1.0获得药物与疾病交集靶点，即关键靶点，并通过String11.0构建PPI。用Cytoscape 3.7.1筛选药物成分和核心靶点，再用DAVID和CB-Dock完成富集分析和分子对接，最后用微生信进行可视化。结果：共筛出132个成分和176个靶点，根据Degree值，Quercetin、Kaempferol等10个为主要成分和PTGS2、ESR1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，及钙信号通路、cGMP-PKG信号通路等发挥作用；分子对接显示主要成分与核心靶点蛋白有良好结合性能。结论：苓甘五味姜辛半夏汤治疗咳嗽的潜在作用机制涉及免疫炎症反应和氧化应激两方面。

Abstract: Objective: The potential mechanism of Linggan Wuwei Jiangxin Banxia Decoction in the treatment of cough was explored by network pharmacology. Methods: Drug components and action targets were collected from TCMSP, Herb and SwissTargetPrediction. Cough targets were obtained from GeneCards, OMIM, TTD, and DRUGBANK. Drug-disease intersection targets, i.e., key targets, were obtained via Venny2.1.0, and PPIs were constructed via String11.0. Cytochrome 3.7.1 was used to screen the drug components and core targets, followed by DAVID and CB-Dock for enrichment analysis and molecular docking, and finally, visualization was performed using microsatellite markers. Results: A total of 132 components and 176 targets were identified, with 10 such as Quercetin and Kaempferol as the main components and 10 such as PTGS2 and ESR1 as the core targets according to the Degree value. Enrichment analysis indicated that the drugs might play a role by affecting multi-biological processes, cellular components and molecular functions, as well as the calcium signaling pathway and cGMP-PKG signaling pathway. Molecular docking showed that the main components had good binding properties to the core target proteins. Conclusion: The potential mechanisms of Linggan Wuwei Jiangxin Banxia Decoction in the treatment of cough involve immune inflammation and oxidative stress.