An In Silico Study of the Antioxidant Ability for Two Caffeine Analogs Using Molecular Docking and Quantum Chemical Methods

An In Silico Study of the Antioxidant Ability for Two Caffeine Analogs Using Molecular Docking and Quantum Chemical Methods

The antioxidant activity of molecules constitutes an important factor for the regulation of redox homeostasis and reduction of the oxidative stress. Cells affected by oxidative stress can undergo genetic alteration, causing structural changes and promoting the onset of chronic diseases, such as canc...

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Bibliographic Details
Main Authors: Josivan da Silva Costa, Ryan da Silva Ramos, Karina da Silva Lopes Costa, Davi do Socorro Barros Brasil, Carlos Henrique Tomich de Paula da Silva, Elenilze Figueiredo Batista Ferreira, Rosivaldo dos Santos Borges, Joaquín María Campos, Williams Jorge da Cruz Macêdo, Cleydson Breno Rodrigues dos Santos
Format: Article
Language:English
Published: MDPI AG 2018-10-01
Series:Molecules
Subjects:
antioxidant potential
molecular descriptors
molecular docking
binding free energy
free radicals
oxidative stress
Online Access:https://www.mdpi.com/1420-3049/23/11/2801

Internet

https://www.mdpi.com/1420-3049/23/11/2801

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