Abstract
During the last years, solving the X-ray crystallographic structure of both the unliganded acetylcholinesterase (AChE) and AChE complexes with various inhibitors has provided valuable knowledge of the interactions that mediate inhibitor binding. This structural information allows us to rationalize differences in binding affinities for related analogues, and more importantly opens new strategies to design compounds with improved pharmacological properties. This is illustrated in the case of the recently reported huprines, which are a new class of very potent and selective acetylcholinesterase inhibitors.
Keywords: Acetylcholinesterase Inhibitors, Alzheimers Disease, Acetylcholinesterase Enzyme, Torpedo californica, AChE Inhibitors, Decamethonium, Edrophonium, (-)-Huperzina A, Donepezil
Mini-Reviews in Medicinal Chemistry
Title: Towards Improved Acetylcholinesterase Inhibitors: A Structural and Computational Approach
Volume: 1 Issue: 3
Author(s): X. Barril, M. Orozco and F. J. Luque
Affiliation:
Keywords: Acetylcholinesterase Inhibitors, Alzheimers Disease, Acetylcholinesterase Enzyme, Torpedo californica, AChE Inhibitors, Decamethonium, Edrophonium, (-)-Huperzina A, Donepezil
Abstract: During the last years, solving the X-ray crystallographic structure of both the unliganded acetylcholinesterase (AChE) and AChE complexes with various inhibitors has provided valuable knowledge of the interactions that mediate inhibitor binding. This structural information allows us to rationalize differences in binding affinities for related analogues, and more importantly opens new strategies to design compounds with improved pharmacological properties. This is illustrated in the case of the recently reported huprines, which are a new class of very potent and selective acetylcholinesterase inhibitors.
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Cite this article as:
Barril X., Orozco M. and Luque J. F., Towards Improved Acetylcholinesterase Inhibitors: A Structural and Computational Approach, Mini-Reviews in Medicinal Chemistry 2001; 1 (3) . https://dx.doi.org/10.2174/1389557013406828
DOI https://dx.doi.org/10.2174/1389557013406828 |
Print ISSN 1389-5575 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5607 |
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