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Inhibitory effect of hesperetin on α-glucosidase: Molecular dynamics simulation integrating inhibition kinetics.

International journal of biological macromolecules (2017-03-23)
Yan Gong, Xiu-Yuan Qin, Yuan-Yuan Zhai, Hao Hao, Jinhyuk Lee, Yong-Doo Park
RESUMEN

The α-glucosidase inhibitor is of interest to researchers due to its association with type-2 diabetes treatment. Hesperetin is a flavonoid with natural antioxidant properties. This paper presents an evaluation on the effects of hesperetin on α-glucosidase via inhibitory kinetics using a Molecular Dynamics (MD) simulation integration method. Due to the antioxidant properties of hesperetin, it reversibly inhibits α-glucosidase in a slope-parabolic mixed-type manner (IC

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1-Naphthalenesulfonic acid, >50%