Molecular modeling and enzymatic studies of the interaction of a choline analogue and acetylcholinesterase |
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| Authors: | Alcaro Stefano Scipione Luigi Ortuso Francesco Posca Salvatore Rispoli Vincenzo Rotiroti Domenicantonio |
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| Affiliation: | Dipartimento di Scienze Farmacobiologiche, Università degli Studi Magna Graecia di Catanzaro, Complesso Ninì Barbieri, Roccelletta di Borgia, Italy. |
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| Abstract: | 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. |
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