Rational Design of Reversible Acetylcholinesterase Inhibitors

Xavier      Barril; Susana   G.   Kalko; Modesto      Orozco; F.   Javier   Luque

Abstract

A large amount of structural information on AChE and AChE-inhibitor complexes is currently available. Based on that, molecular modeling studies can be intensively used to gain insight into the mechanism of action of the enzyme and the molecular determinants that modulate the potency of inhibitors. In turn, this knowledge can be exploited to design new compounds leading to more effective cholinergic strategies. This manuscript reviews recent developments in the design of reversible acetylcholinesterase inhibitors.

Keywords: Acetylcholinesterase Inhibitors, Torpedo californica, Tacrine, Velnacrine, Amiridine, Huperzine, ciclohexenol ring, N-Benzylpiperidines, Torpedo californica AChE