麻黄附子细辛汤治疗变应性鼻炎作用机制探究

Exploration on the Mechanism of Mahuang Fuzi Xixin Decoction in Treating Allergic Rhinitis

目的:借助网络药理学与分子对接技术,对麻黄附子细辛汤治疗变应性鼻炎(AR)的可能分子机制进行探析。方法:利用TCMSP平台筛选出麻黄附子细辛汤中各中药的主要活性成分及其相关的潜在靶点;依托DisGeNET平台、OMIM以及GeneCards数据库寻找到AR疾病的相关靶标;借助R软件对药物和疾病的共同靶点进行筛选;采用Cytoscape(3.8.0)软件分别建立麻黄附子细辛汤化学成分-靶点网络图以及核心靶点-通路网络图;依托OmicShare网站对药物-疾病共同靶蛋白进行GO富集分析和KEGG通路分析;使用AutoDock软件和Vina对关键化合物与靶蛋白的结合能力进行分子对接验证。结果:从麻黄附子细辛汤中共挑选出活性成分52个,共关联到227个治疗变应性鼻炎的靶标,根据拓扑学分析共挑选得到核心靶点30个;KEGG通路共富集出197条信号通路;分子对接验证结果显示,麻黄附子细辛汤主要化学成分与AR疾病核心靶蛋白具有较好的结合活性。结论:该研究通过网络药理学展现了麻黄附子细辛汤对AR具有多成分、多靶点、多通路的治疗作用特点,系统地探究了麻黄附子细辛汤对治疗变应性鼻炎的潜在分子机制,为后期相关研究提供理论依据和新的研究思路。

Objective:To explore the possible molecular mechanism of Mahuang Fuzi Xixin decoction in treating allergic rhinitis(AR) by means of network pharmacology and molecular docking technology.Methods:TCMSP platform was used to screen out the main active ingredients and related potential targets of each traditional Chinese medicine in Mahuang Fuzi Xixin Decoction;Relying on DisGeNET platform,OMIM and GeneCards database to find the relevant targets of AR disease;using R software to analyze drugs and diseases Screening of the common targets of common targets;Cytoscape(3.8.0) software was used to establish the chemical composition-target network diagram and core target-pathway network diagram of Mahuangfuzi Xixin decoction respectively;relying on the OmicShare website to analyze the drug-disease common target protein Carry out GO enrichment analysis and KEGG pathway analysis;use AutoDock software and Vina to carry out molecular docking verification on the binding ability of key compounds and target proteins.Results:A total of 52 active ingredients were selected from Mahuang Fuzi Xixin decoction,which were associated with 227 targets for the treatment of allergic rhinitis.A total of 30 core targets were selected according to topological analysis;a total of 197 KEGG pathways were enriched Signaling pathway;The results of molecular docking verification showed that the main chemical components of Mahuang Fuzi Xixin decoction had good binding activity to the core target protein of AR disease.Conclusion:This study shows that Mahuang Fuzi Xixin decoction has multi-component,multi-target,and multi-channel therapeutic effects on AR through network pharmacology,and systematically explores the potential molecular effects of Mahuang Fuzi Xixin decoction on the treatment of allergic rhinitis.It provides a theoretical basis and new research ideas for later related research.