基于UPLC-Q-TOF-MS和网络药理学的小青龙颗粒抗支气管哮喘活性成分与机制研究

Abstract

Objective: This study aimed to investigate the pharmacodynamic components and mechanisms of Xiaoqinglong granule (XQLG) in the treatment of bronchial asthma (BA) by integrating ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS), network pharmacology, molecular docking, and experimental validation. Materials and Methods: The chemical ingredients of XQLG were identified using UPLC-Q-TOF-MS technology. Network pharmacology was applied to predict potential therapeutic targets for BA, followed by molecular docking to validate the interactions between key ingredients and core targets. The underlying mechanism of XQLG in treating BA was further confirmed through in vivo experiments. Results: A total of 44 compounds were identified in XQLG, and 203 overlapping drug-disease targets were predicted. Functional enrichment analysis revealed 1884 biological processes, 106 molecular functions, 253 cellular components (Gene Ontology terms), and 188 signaling pathways, including those related to the inflammatory response, protein kinase activity, and the PI3K-Akt signaling pathway. Molecular docking demonstrated strong binding affinities between core target genes and active ingredients such as schizandrin A and liquiritigenin. In vivo experiments confirmed that XQLG significantly reduced the levels of pro-inflammatory cytokines (interleukin [IL]-4, IL-5, IL-13, and tumor necrosis factor-alpha) in BA mice and inhibited the expression of proteins associated with the PI3K-Akt signaling pathway. Conclusions: XQLG exhibits multicomponent and multitarget characteristics in the treatment of BA, effectively alleviating BA-related inflammation. These findings provide a scientific basis for the clinical application of XQLG in BA management.