Combined In Silico and Experimental Investigations of Resveratrol Encapsulation by Beta-Cyclodextrin

Combined In Silico and Experimental Investigations of Resveratrol Encapsulation by Beta-Cyclodextrin

The results of the computational and the physicochemical studies of the encapsulation of resveratrol with β-cyclodextrin are presented here. At first, the molecular docking experiments predicted good binding. Several MD simulations and MM-PBSA experiments confirmed the reliable binding, showing opti...

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Bibliographic Details
Main Authors: Ainara Iskineyeva, Serik Fazylov, Ryszhan Bakirova, Akmaral Sarsenbekova, Irina Pustolaikina, Olzhas Seilkhanov, Aisha A. Alsfouk, Eslam B. Elkaeed, Ibrahim H. Eissa, Ahmed M. Metwaly
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:Plants
Subjects:
cyclodextrins
β-cyclodextrin
vitamin resveratrol
molecular modeling
inclusion complexes
antioxidant activity
Online Access:https://www.mdpi.com/2223-7747/11/13/1678

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https://www.mdpi.com/2223-7747/11/13/1678

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