Network pharmacology and molecular docking study on the potential mechanism of Tongqiao-Biyan granule in treatment of allergic rhinitis

Abstract

Purpose: Allergic rhinitis (AR) is a pervasive global health problem, imposing a major economic burden and causing disability worldwide. Tongqiao-Biyan granule (TBG) has gained popularity in China for the treatment of AR. This study aimed to elucidate the molecular mechanism underlying TBG's efficacy in treating AR.

Methods: The Traditional Chinese Medicine pharmacological database was utilized to identify the main ingredients in TBG and their corresponding target genes. ARrelated target genes were identified using the GeneCards, OMIM, and DrugBank databases. The Gene Ontology (GO) network, Kyoto Encyclopedia of Genes and Genomes (KEGG), and target protein-protein interaction (PPI) network were employed to analyze the molecular mechanisms. The top five hub genes were selected for molecular docking with the top five ranked compounds to confirm their interaction in TBG when used in the treatment of AR.

Results: A total of 7 active ingredients from TBG, 784 predicted targets of TBG, and 945 AR targets were obtained. Analysis via the GO and KEGG databases revealed that TBG can act on AR by modulating inflammatory responses and promoting cell migration. PPI network analysis and molecular docking results suggested that phellopterin, quercetin, luteolin, denudatin B, and cleomiscosin A in TBG may alleviate the AR symptoms by interacting with key proteins such as TNF, AKT1, STAT3, VEGFA, and EGFR.

Conclusions: TBG modulates numerous targets across diverse signaling pathways in the AR therapy. Our results furnish a theoretical foundation for further exploring TBG's pharmacological mechanism in AR treatment.

Keywords

allergic rhinitis / molecular docking / network pharmacology / Tongqiao-Biyan granule / Traditional Chinese Medicine

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