Integrating Bioinformatics and Network Pharmacology to Elucidate the Molecular Mechanisms of Banxia Xiexin Decoction in Treating Gastroparesis

Abstract:
This study explores the active components and potential mechanisms of Banxia Xiexin Decoction (BXD) in the treatment of gastroparesis (GP). Through bioinformatics and network pharmacology approaches, 211 active components of BXD (such as quercetin, kaempferol, and β-sitosterol) and 286 target genes were identified, with AKT1 and IL6 being key targets. Network analysis and molecular docking revealed that β-sitosterol exhibited strong binding affinity with core targets (such as AKT1 and IL6), and molecular dynamics simulations further validated the binding stability. Pathway enrichment analysis suggested that the PI3K-Akt and IL-17 signaling pathways may be critical mechanisms underlying BXD's therapeutic effects on GP. This study, for the first time, identifies β-sitosterol as a core active component of BXD, providing a scientific basis for its clinical application in Traditional Chinese Medicine and future research.