1-(3-<i>Tert</i>-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 <i>K_i</i> = 5.15 nM....

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Bibliographic Details

Main Authors:	Irina V. Zueva, Sofya V. Lushchekina, Ian R. Pottie, Sultan Darvesh, Patrick Masson
Format:	Artigo
Language:	Inglês
Published:	MDPI AG 2020-11-01
Series:	Biomolecules
Subjects:	acetylcholinesterase slow-binding inhibition transition state analog organophosphorus
Online Access:	https://www.mdpi.com/2218-273X/10/12/1608
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