Molecular Mechanism of TCM Formula in Treating Asthma Combined with Atopic Dermatitis Based on Network Pharmacology and Molecular Docking

doi:10.19803/j.1672-8629.20250071

Abstract

Abstract: Objective To explore the underlying therapeutic mechanisms of the traditional Chinese medicine (TCM) formula-Guominjian combined with Yupingfengsan-in treating asthma complicated with atopic dermatitis using network pharmacology and molecular docking techniques. Methods Potential active ingredients and their corresponding targets in this TCM formula were identified using the TCMSP database. Disease-related targets were retrieved from the GeneCards and OMIM database. The intersection of these targets was determined using Venn diagram analysis. A protein-protein interaction (PPI) network was constructed with the STRING database, and enrichment analysis of Gene Ontology (GO) functions and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways was conducted using the Metascape platform. Molecular docking was employed to verify the binding affinity between the core targets and active ingredients. Results PPI network analysis revealed that such targets as IL6、STAT3、TNF、SRC and AKT1 were central to the therapeutic action. The TNF and IL-17 signaling pathways might play pivotal roles in the treatment of asthma complicated with atopic dermatitis. Molecular docking results indicated that the core therapeutic targets exhibited strong binding affinity with such active ingredients as quercetin, kaempferol, and isorhamnetin. Conclusion Guominjian combined with Yupingfengsan may combat asthma combined with atopic dermatitis by modulating multiple signaling pathways, such as those involving TNF and IL-17, via its action on core targets. This study provides data for subsequent experimental research and clinical applications.

Key words: Guominjian Combined with Yupingfengsan, Asthma, Atopic Dermatitis, Quercetin, Kaempferol, Isorha-

CLC Number:

ZHANG Huiting, LI Youlin, LI Lei, LI Chunlei, SHI Qi, LI Shangdian, SUN Huizhuo, MA Wenjing, YAN Yue. Molecular Mechanism of TCM Formula in Treating Asthma Combined with Atopic Dermatitis Based on Network Pharmacology and Molecular Docking[J]. Chinese Journal of Pharmacovigilance, 2025, 22(11): 1276-1281.

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