Prediction of organophosphorus acetylcholinesterase inhibition using three-dimensional quantitative structure-activity relationship (3D-QSAR) methods

Neurotoxic organophosphorous compounds are known to modulate their biological effects through the inhibition of a number of esterases including acetylcholinesterase (AChE), the enzyme responsible for the degradation of the neurotransmitter acetylcholine. In this light, molecular modeling studies wer...

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Veröffentlicht in:Toxicological sciences 2001-10, Vol.63 (2), p.223-232
Hauptverfasser: EL YAZAL, Jamal, RAO, Shashidhar N, MEHL, Adrea, SLIKKER, William JR
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Sprache:eng
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