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

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 Pharmacology 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 834 functional 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 components 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.

Keywords

allergic rhinitis - Mahuang Xixin Fuzi Decoction - Q-markers - network pharmacology - molecular docking

CRediT Authorship Contribution Statement

Lingli Cao: Project administration, data curation, formal analysis, and writing -original draft. Xiaomin Chen: Writing-review and editing. Yun Guo: Writing-review and editing. Yinman Feng: Project administration and funding acquisition.

Publication History

Received: 22 January 2025

Accepted: 25 March 2025

Article published online:
27 June 2025

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