Inhibitory capacity changes of Donepezil by fluorine substitution; Molecular docking and Density functional theory calculations

Acetylcholinesterase (AChE) inhibitors are a class of substances that work by inhibiting theAChE enzyme to control levels of acetylcholine in your brain [1]. One of these inhibitors thatis used to treatment the Alzheimer diseases is the Donepezil [2]. In this work, the effect offluorination on the inhibitory property of this drug was investigated by two effectivetheoretical methods; molecular docking[3] and density functional theory (DFT) [4].