Mechanism of Antioxidant Activity of Betanin, Betanidin and Respective C15-Epimers via Shape Theory, Molecular Dynamics, Density Functional Theory and Infrared Spectroscopy

Mechanism of Antioxidant Activity of Betanin, Betanidin and Respective C15-Epimers via Shape Theory, Molecular Dynamics, Density Functional Theory and Infrared Spectroscopy

Betanin and betanidin are compounds with extensive interest; they are effectively free radical scavengers. The present work aims to elucidate the differences between the mechanism of the antioxidant activity of betanin, betanidin, and their respective C15-epimers. Shape Theory establishes comparison...

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Bibliographic Details
Main Authors: Iliana María Ramirez-Velasquez, Ederley Velez, Alvaro Bedoya-Calle, Francisco Jose Caro-Lopera
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Molecules
Subjects:
antioxidant mechanisms
DFT calculations
shape theory
molecular docking
Online Access:https://www.mdpi.com/1420-3049/27/6/2003

Internet

https://www.mdpi.com/1420-3049/27/6/2003

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