Elsevier, Bioorganic and Medicinal Chemistry Letters, 20(12), p. 2899-2905
DOI: 10.1016/s0960-894x(02)00554-1
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Pivaloyl-choline iodide 1 interactions with acetylcholinesterase (AChE) have been studied by theoretical and enzymatic methods. An integrated computational approach has clearly shown a substrate rather than inhibitory profile for 1. Enzymatic experiments have also supported the same theoretical conclusion indicating that AChE was able to hydrolyze 1 to choline.