1-(3-Tert-Butylphenyl)-2,2,2-Trifluoroethanone as a Potent Transition-State Analogue Slow-Binding Inhibitor of Human Acetylcholinesterase: Kinetic, MD and QM/MM Studies

Kinetic studies and molecular modeling of human acetylcholinesterase (AChE) inhibition by a fluorinated acetophenone derivative, 1-(3-tert-butylphenyl)-2,2,2-trifluoroethanone (TFK), were performed. Fast reversible inhibition of AChE by TFK is of competitive type with K(i) = 5.15 nM. However, steady...

Descripción completa

Detalles Bibliográficos
Autores principales: Zueva, Irina V., Lushchekina, Sofya V., Pottie, Ian R., Darvesh, Sultan, Masson, Patrick
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7760592/
https://www.ncbi.nlm.nih.gov/pubmed/33260981
http://dx.doi.org/10.3390/biom10121608

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7760592/
https://www.ncbi.nlm.nih.gov/pubmed/33260981
http://dx.doi.org/10.3390/biom10121608

Ejemplares similares