Title : Can hydroxylamine be a more potent nucleophile for the reactivation of tabun-inhibited AChE than prototype oxime drugs? An answer derived from quantum chemical and steered molecular dynamics studies.

Pub. Date : 2014 Jul 29

PMID : 24964273






1 Functional Relationships(s)
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1 The docking analysis suggests that charged bis-quaternary pyridinium oximes have greater binding affinity inside the active-site gorge of AChE compared to the neutral pyridinylhydroxylamine. bis-quaternary pyridinium oximes acetylcholinesterase (Cartwright blood group) Homo sapiens