Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors – An insight into the atomistic mechanisms of their antioxidant potential

Inhibitors of Keap1 would disrupt the covalent interaction between Keap1 and Nrf2 to unleash Nrf2 transcriptional machinery that orchestrates its cellular antioxidant, cytoprotective and detoxification processes thereby, protecting the cells against oxidative stress mediated diseases. In this in sil...

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Detalles Bibliográficos
Publicado en:Heliyon
Main Authors: Adelusi, Temitope Isaac, Abdul-Hammed, Misbaudeen, Idris, Mukhtar Oluwaseun, Oyedele, Qudus Kehinde, Adedotun, Ibrahim Olaide
Formato: Artigo
Idioma:Inglês
Publicado: Elsevier 2021
Assuntos:
Research Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC8233138/
https://ncbi.nlm.nih.gov/pubmed/34195424
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2021.e07317
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