Elucidating the Material Basis and Mechanism of Shaoyao Gancao Decoction Against Alcoholic Liver Disease via Ultra‐High‐Performance Liquid Chromatography‐Mass Spectrometry and Network Pharmacology

Alcoholic liver disease (ALD) is a common hepatic disorder. Shaoyao Gancao Decoction (SGD) can be used to treat ALD, but its material basis and mechanism of action are not yet fully understood. In this study, ultra-high-performance liquid chromatography-mass spectrometry was employed to identify 49 components in Paeoniae Radix Alba extract and 101 components in Glycyrrhizae Radix et Rhizoma, respectively. Furthermore, 147 components were identified in the SGD extract, primarily including flavonoids, terpenoids, phenolics, coumarins, and organic acids. Further analysis detected 14 blood-absorbed components in the plasma of administered rats. Network pharmacology results suggest that SGD may exert its therapeutic effects against ALD by regulating pathways related to inflammation, metabolism, and cell survival, thereby influencing biological processes such as cell proliferation, inflammatory responses, and substance metabolism. Additionally, by integrating six network analysis algorithms, isoliquiritigenin was identified as a core component, and prostaglandin-endoperoxide synthase 2 (PTGS2) as a core target. Molecular dynamics simulations verified that isoliquiritigenin and the PTGS2 protein can bind stably, providing a solid structural basis for its potential mechanism of action. This study comprehensively elucidates the material basis of SGD and preliminarily explores its potential mechanisms, providing a foundation and reference for further research on this formula.