Comparative antioxidant activity and untargeted metabolomic analyses of cherry extracts of two Chinese cherry species based on UPLC-QTOF/MS and machine learning algorithms

Wang, Z.; Zhang, Lin; Hao, Wenqian; Liu, Y.-J.; Xiao, Xia; Xiao, Shan; Zhang, Chenning; Wei, Binbin

doi:10.1016/j.foodres.2023.113059

Cited by 8 publications

(1 citation statement)

References 37 publications

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“…To identify bioactive components of MLEs, components were screened using VIP ≥ 1 and fold change (FC) ≥2 or ≤0.5 (Wang, Zhou, et al, 2023), and upregulation and downregulation of differential metabolites are presented in the volcano plots. Figure 2A reveals that compared to MLE1, the number of upregulation, downreduction, and inconspicuous metabolites in MLE2 was 335, 282, and 452, respectively.…”

Section: Resultsmentioning

confidence: 99%

Discovery of vitexin as a novel α‐glucosidase inhibitors in mulberry (Morus alba L.) by untargeted metabolomics combined with molecular docking: A comprehensive study from mechanism to synergy effects

Wang,

Zhang,

Wang

et al. 2024

eFood

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Mulberry (Morus alba L.) leaf can effectively inhibit the digestion of starchy foods, and α‐glucosidase (AG) is its main target. This study employed an untargeted metabolomics approach combined with molecular docking to identify AG inhibitors. Subsequently, inhibition kinetics, fluorescence spectroscopy, and interaction force analysis were utilized to investigate the inhibitory mechanism. Results indicated that vitexin exhibited significant reversible inhibition of AG through competitive inhibition, with an IC50 value of 105.50 ± 1.30 μg/mL. Molecular docking revealed hydrogen bonding as the main interaction force between vitexin and AG, and quenching mechanism analysis showed that they underwent static quenching driven by entropy. The results of the combined experiment showed that 1‐deoxynojirimycin (DNJ), a known bioactive component in mulberry, has a synergistic effect of inhibiting AG activity with vitexin. This study elucidates the potential mechanism of vitexin in inhibiting AG activity and provides theoretical evidence for utilizing vitexin‐DNJ complexes as functional components of AG inhibitors.

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Section: Resultsmentioning

confidence: 99%