基于网络药理学和分子对接技术探讨补中益气汤治疗小儿过敏性鼻炎-哮喘综合征的作用机制

doi:10.20274/j.cnki.issn.1674-3865.2026.02.002

Abstract

Abstract:

Objective To investigate the potential mechanism of Buzhong Yiqi decoction in the treatment of pediatric combined allergic rhinitis and asthma syndrome(CARAS) based on network pharmacology and molecular docking technology. Methods Active ingredients of Buzhong Yiqi decoction and their corresponding targets were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform. Disease targets related to rhinitis and asthma were collected from the GeneCards and OMIM databases. Common targets shared between the drug and diseases were identified, and a "drug-active ingredient-disease-target" network and a protein-protein interaction(PPI) network were constructed. Enrichment analysis of Gene Ontology(GO) functions and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathways was performed on the intersection targets. Finally, molecular docking simulations were applied to systematically evaluate the interactions between the main active components and core target proteins, thereby validating their specific binding capacity and potential mechanisms of action. Results A total of 165 active ingredients and 965 corresponding targets of Buzhong Yiqi decoction were screened out, among which 185 targets overlapped with CARAS-related targets. Network analysis identified malkangunin benzoate, arachidonic acid, and some others as core active components, while TNF, IL-6, STAT3 and some others were determined as core targets. Enrichment analysis revealed that these targets were significantly involved in biological processes such as inflammatory response and signaling pathways including PI3K-Akt. The binding free energies (all lower than -5 kcal/mol) resulting from molecular docking indicated that stable and effective binding could be achieved between the primary active compounds and core target proteins. Conclusion Buzhong Yiqi decoction may exert multi-target and multi-pathway synergistic effects in the treatment of CARAS by utilizing various active components such as malkangunin benzoate to act on key targets including TNF, IL-6, and STAT3. This regulates processes like the PI3K-Akt signaling pathway and Th17 cell differentiation, thereby inhibiting inflammatory responses and modulating immune balance.

Key words: Allergic rhinitis asthma syndrome, Buzhong Yiqi decoction, Network pharmacology, Molecular docking technology, Mechanism of action, Child

CLC Number:

R725.6

Jiongnan WEN, Yuansha WANG, Mengyi XU, Yi LÜ, Haixia LI. Exploring the mechanism of action of Buzhong Yiqi decoction in the treatment of pediatric combined allergic rhinitis and asthma syndrome based on network pharmacology and molecular docking technology[J]. Chinese Pediatrics of Integrated Traditional and Western Medicine, 2026, 18(2): 98-103.

Figures/Tables 5

References 30

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靶点蛋白	malkangunin	arachidonate	Gomisin B
TNF	-7.6	-5.8	-6.5
IL-6	-8.3	-5.5	-6.8
STAT3	-7.1	-5.3	-6.8

Exploring the mechanism of action of Buzhong Yiqi decoction in the treatment of pediatric combined allergic rhinitis and asthma syndrome based on network pharmacology and molecular docking technology

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