Mode of inhibitory binding of epigallocatechin gallate to the ubiquitin-activating enzyme Uba1 via accelerated molecular dynamics

The green tea polyphenol (−)-epigallocatechin-3-gallate (EGCG) and some of its analogs potently inhibit the ubiquitin-activating enzyme Uba1. In an effort to understand the possible molecular basis of inhibitory activity of EGCG, we conducted a molecular docking and molecular dynamics simulation stu...

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Detalles Bibliográficos
Autores principales: Gaur, Paras, Fenteany, Gabriel, Tyagi, Chetna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695214/
https://www.ncbi.nlm.nih.gov/pubmed/35423322
http://dx.doi.org/10.1039/d0ra09847g

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695214/
https://www.ncbi.nlm.nih.gov/pubmed/35423322
http://dx.doi.org/10.1039/d0ra09847g

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