Synthesis and screening for antiacetylcholinesterase activity of (1-benzyl-4-oxopiperidin-3-ylidene)methylindoles and -pyrroles related to donepezil.

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Andreani A, Cavalli A, Granaiola M, Guardigli M, Leoni A, Locatelli A, Morigi R, Rambaldi M, Recanatini M, Roda A

Synthesis and screening for antiacetylcholinesterase activity of (1-benzyl-4-oxopiperidin-3-ylidene)methylindoles and -pyrroles related to donepezil.

J Med Chem. 2001 Nov 8;44(23):4011-4.

PubMed ID

11689088 [ View in PubMed

]

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.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Donepezil	Acetylcholinesterase	IC 50 (nM)	40	N/A	N/A	Details
Tacrine	Acetylcholinesterase	IC 50 (nM)	180	N/A	N/A	Details