EXPLORING NATURAL ASTHMA TREATMENTS IN ATHLETES: NETWORK PHARMACOLOGY AND MOLECULAR DOCKING INSIGHTS INTO LENGXIAOWAN

Abstract

Objective: This study explores the mechanisms through which the traditional herbal formula LengXiaoWan may alleviate asthma, using network pharmacology and molecular docking techniques, with a focus on potential applications for athlete respiratory health. Methods: Active ingredients in LengXiaoWan were identified using the TCMSP and PubChem databases, complemented by literature reviews. Drug component targets were obtained from TCMSP and Super Pred, while asthma-related targets were sourced from Gene Cards, OMIM, PharmGkb, TTD, and DrugBank databases. Intersectional targets between LengXiaoWan components and asthma were analyzed using R software. The String platform constructed the protein interaction network for these targets, and core targets were identified via the CytoNCA module in Cytoscape. GO and KEGG pathway enrichment analyses were performed using the David database, and molecular docking was used to validate interactions between core components and targets. Results: Analysis of LengXiaoWan’s twelve herbs revealed 182 active ingredients, with seven core components including luteolin, baicalein, and kaempferol identified as particularly significant. GO analysis indicated involvement in enzyme binding, positive regulation of the MAPK cascade, and transcription factor binding, suggesting mechanisms by which LengXiaoWan acts therapeutically in asthma. KEGG analysis highlighted the IL-17 and TNF signaling pathways as critical in this context. Molecular docking confirmed stable binding of components like luteolin to key targets such as MMP-9. Conclusion: LengXiaoWan operates through a multi-component, multi-target, and multi-pathway approach to treat asthma, offering valuable insights into natural asthma management strategies suitable for athletes. This comprehensive mechanism elucidation not only supports the theoretical framework for using LengXiaoWan in treating asthma but also lays the groundwork for further experimental research to optimize athlete respiratory health and performance.