Exploring the Chemical Composition and Mechanism of Xiaoqinglong Granules Against Bronchial Asthma Using Ultraperformance Liquid Chromatography Coupled with Quadrupole Time-of-flight Mass Spectrometry, Network Pharmacology, Molecular Docking, and Experimental Verification
Xie Hui-Juan, Lin Lu-Jie, Tang Zhu-Qian, Song Jiao, Xie Jin, Han Li, Yang Bin, Li Hua
Journal:World Journal of Traditional Chinese Medicine
IF:2.6
DOI:10.4103/wjtcm.wjtcm_56_25
PMID:
Published:2026-01-20
research field:肿瘤学肿瘤微环境分子生物学免疫学肿瘤代谢
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.
本文使用的Yeasen产品


