Protective effect of fermented vegetable compounds against nonalcoholic fatty liver disease using metabolite profiling, integrated network pharmacology, and molecular docking approach.

Abstract

Vegetable fermentation extract (VFE) shows potential as a preventive agent to inhibit nonalcoholic fatty liver disease (NAFLD). This study identified bioactive compounds of VFE and explored the mechanism of VFE against NAFLD. Metabolite profiling was analysed using Liquid chromatography-tandem mass spectrometry (LC-MS/MS). The bioactive compounds were screened using the Lipinski Rule of 5, toxicity, and biological activity prediction, followed by network pharmacology and molecular docking. Of the 24 bioactive compounds identified, 8 compounds passed the screening process. Twenty-four genes from network pharmacology were involved in the NAFLD mechanism, including those related to insulin signaling, inflammation, and lipid metabolism. Kaempferol, apigenin, and N-(p-coumaroyl) serotonin showed a good binding affinity with CCR2, AKT, IL-6, and PPAR-γ compared to simvastatin and metformin. Bioactive compounds from VFE were predicted to ameliorate NAFLD.