Molecular Mechanism of Sangmei Zhike Granules in Treating Allergic Asthma: Insights from UPLC-MS/MS and Network Pharmacology

Abstract

Background: Asthma has become an increasingly serious and prevalent public health issue. Chinese herbal medicine holds promising potential as an adjunctive therapy for asthma. This study employed ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS), network pharmacology, and molecular docking techniques to investigate the therapeutic mechanism of Sangmei Zhike granule (SZG) in the management of allergic asthma. Methods: Initially, UPLC-MS/MS was utilized to identify the primary compounds absorbed into the bloodstream following SZG administration. Subsequently, network pharmacology was applied to predict the targets and key pathways of SZG in treating allergic asthma. Furthermore, molecular docking technology was employed to validate certain predictions derived from network pharmacology. Results: A total of 70 compounds were identified using UPLC-MS/MS. Network pharmacology analysis revealed that active compounds such as schisandrin A, magnoflorine, phaeocaulisin E, and arglabin may play a role in the therapeutic effect of SZG on allergic asthma. These compounds exert their effects by targeting multiple signaling pathways, including JAK-STAT, HIF-1, and PI3K/AKT.Molecular docking analysis of core components and target proteins suggested good binding affinities between the core components and most target proteins, except JAK2, CXCL-8, and TNF. Conclusion: Results from UPLC-MS/MS and network pharmacology indicate that the active compounds present in SZG exert their therapeutic effects on asthma through multiple targets and signaling pathways. These compounds are implicated in the management of type 2-high asthma, type 2-low asthma, and mixed asthma, suggesting a potential efficacy of SZG in non-allergic asthma as well. These findings may provide valuable insights for future investigations on the therapeutic potential of SZG in asthma treatment.