中医学报（英文）2025，Vol.5Issue(2)：115-123,9.DOI:10.1055/s-0045-1809685.ISSN 2096-918X
基于网络药理学和分子对接研究麻黄细辛附子汤治疗过敏性鼻炎的作用机制及其Q-markers预测
Study on the Mechanism of Mahuang Xixin Fuzi Decoction in Treating AR and Prediction of Its Q-Markers Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective This study aimed to investigate the potential mechanism of Mahuang Xixin Fuzi Decoction in treating allergic rhinitis(AR)and predict its quality markers(Q-markers)using network pharmacology and molecular docking techniques. Methods The chemical components of the herbal constituents in Mahuang Xixin Fuzi Decoction were retrieved from the Traditional Chinese Medicine Systems Pharmacolo-gy Database and Analysis Platform(TCMSP).Active component-related targets were screened using the SwissTargetPrediction database,while AR-related targets were obtained from the GeneCards database.The intersection targets(potential therapeutic targets of the Mahuang Xixin Fuzi Decoction for AR)were identified via the Venn 2.1.0 platform,and a Venn diagram was constructed.A"herb-active component-potential target"network was established using Cytoscape 3.10.0,and core components were screened via topological analysis.Protein-protein interaction(PPI)network of the intersection targets was built using the String database,followed by topological analysis to identify core targets.Gene Ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis were performed on the core targets using the DAVID database.Molecular docking of core components and targets was conducted using AutoDock Tools 1.5.7. Results Twenty-seven active components were identified from TCMSP,with 506 corresponding targets predicted by SwissTargetPrediction.A total of 2,447 AR-related targets were retrieved from GeneCards,yielding 165 intersection targets.Network analysis revealed naringenin,genkwanin,deoxyandrographolide,karakoline,and karanjin as core components.PPI network analysis identified 32 core targets.GO enrichment analysis screened 834functional items,including 618 biological processes,72 cellular components,and 144 molecular functions.KEGG analysis identified 165 signaling pathways.Molecular docking confirmed stable binding between core com-ponents and key targets. Conclusion Multiple chemical components in Mahuang Xixin Fuzi Decoction may ameliorate AR by regulating diverse targets and biological processes.Naringenin,genkwanin,and deoxyandrographolide are proposed as potential Q-markers for this decoction in AR treatment.关键词
过敏性鼻炎/麻黄细辛附子汤/Q-markers/网络药理学/分子对接Key words
allergic rhinitis/Mahuang Xixin Fuzi Decoction/Q-markers/network pharmacology/molecular docking引用本文复制引用
曹伶俐,陈晓敏,郭允,封银曼..基于网络药理学和分子对接研究麻黄细辛附子汤治疗过敏性鼻炎的作用机制及其Q-markers预测[J].中医学报（英文）,2025,5(2):115-123,9.基金项目
This work was supported by Henan Province 2024 Science and Technology Development Plan(242102310577). （242102310577）
