Exploration of the inhibitory mechanisms of trans-polydatin/resveratrol on &#945;-glucosidase by multi-spectroscopic analysis, in silico docking and molecular dynamics simulation.

Wang, Ruimin; Fan, Ruyan; Meng, Tingyu; Wang, Lu

Exploration of the inhibitory mechanisms of trans-polydatin/resveratrol on α-glucosidase by multi-spectroscopic analysis, in silico docking and molecular dynamics simulation.

Wang, Ruimin; Fan, Ruyan; Meng, Tingyu; Wang, Lu.

Afiliación

Wang R; School of Food Science and Engineering, Hainan University, Haikou 570228, PR China.
Fan R; School of Food Science and Engineering, Hainan University, Haikou 570228, PR China.
Meng T; School of Food Science and Engineering, Hainan University, Haikou 570228, PR China.
Wang L; School of Food Science and Engineering, Hainan University, Haikou 570228, PR China; Key Laboratory of Food Nutrition and Functional Food of Hainan Province, Hainan University, Haikou 570228, PR China. Electronic address: lwang@hainanu.edu.cn.

Spectrochim Acta A Mol Biomol Spectrosc ; 299: 122866, 2023 Oct 15.

Article en En | MEDLINE | ID: mdl-37201332

Asunto(s)

Simulación de Dinámica Molecular; alfa-Glucosidasas; Resveratrol; alfa-Glucosidasas/metabolismo; Simulación del Acoplamiento Molecular; Inhibidores de Glicósido Hidrolasas/farmacología; Inhibidores de Glicósido Hidrolasas/metabolismo

Palabras clave

In silico docking; Inhibition mechanism; Molecular dynamics simulation; Multi-spectral techniques; Polydatin; Trans-resveratrol; α-glucosidase

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Alfa-Glucosidasas / Simulación de Dinámica Molecular Idioma: En Revista: Spectrochim Acta A Mol Biomol Spectrosc Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article

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