Abstract
The design, synthesis, and rapid evaluation of a new class of acetylcholinesterase (AChE) inhibitors related to donepezil are reported. A molecular dynamics simulation of the complex between AChE and one representative compound of the series showed a possible inhibitor binding mode in which favorable interactions are formed between the benzylpiperidinone moiety and some active-site residues. The biochemical evaluation of this newly synthesized series was performed using a chemiluminescent method suitable for high-throughput screening.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Acetylcholinesterase / chemistry*
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Donepezil
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Drug Evaluation, Preclinical
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Indans / chemistry*
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Indoles / chemical synthesis*
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Indoles / chemistry
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Luminescent Measurements
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Models, Molecular
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Nootropic Agents / chemical synthesis*
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Nootropic Agents / chemistry
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Piperidines / chemical synthesis*
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Piperidines / chemistry*
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Pyrroles / chemical synthesis*
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Pyrroles / chemistry
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Structure-Activity Relationship
Substances
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Indans
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Indoles
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Nootropic Agents
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Piperidines
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Pyrroles
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Donepezil
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Acetylcholinesterase