Insights into the inhibitory activity and mechanism of action of flavonoids from the stems and branches of Acer mono Maxim. against α-glucosidase via kinetic analysis, molecular docking, and molecular dynamics simulations

Journal of Molecular Structure(2023)

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摘要
•12 Flavonoids were isolated from the stems and branches of A. mono Maxim.•Two dimeric flavan-3-ols (1 and 2) showed strong inhibitory effect on α-glucosidase.•Compounds 1 and 2 inhibited α-glucosidase in a non-competitive model.•Molecular docking and dynamics revealed the binding interactions of active compounds.
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关键词
Acer mono Maxim.,Flavonoid,α-glucosidase,Kinetic analysis,Molecular docking,Molecular dynamics
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