Abstract:
Objective: Investigating the protective mechanisms of medicinal and edible plant
Styphnolobium japonicum cv. Jinhuai (SJvj) against alcohol-induced liver injury using widely targeted metabolomics, network pharmacology, and molecular docking techniques. Methods: Ultra performance liquid chromatography-electrospray-tandem triple quadrupole/linear ion trap mass spectrometry (UPLC-ESI-QTRAP-MS/MS) system and MWDB database were used to identify the components in SJvj's flower buds by widely targeted metabolomics. Then, using TCMSP, PubChem, Siwss Target Prediction, GeneCards, OMIM, DisGeNET, STRING, DAVID and other databases and Cytoscape software, network pharmacological analyses and molecular docking were carried out to construct a network diagram of disease-pathway-target-component-drug and validate the core targets. Results: A total of 1550 components across 12 categories from SJvj's flower buds were detected and identified, in which there were 401 flavonoids. 139 active ingredients which had potential protective effects against alcohol-induced liver injury and 299 intersecting targets were screened out. A total of 200 pathways were identified by Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. Molecular docking results suggested that components such as pectolinarigenin, 6-methylluteolin, dihydroxy-dimethoxyflavonoid, and 5,2'-dihydroxy-7,8-dimethoxyflavone from SJvj's flower buds might exhibit superior binding affinity with core targets including GAPDH, AKT1, IL6, ALB, TNF, and CASP3. Conclusion: Protective effects against alcohol-induced liver injury were synergistically exerted by SJvj's flower buds through multi-component, multi-target, and multi-pathway mechanisms.