Title : Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime.

Pub. Date : 2014 Nov 5

PMID : 25218671






6 Functional Relationships(s)
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1 Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime. Oximes acetylcholinesterase (Cartwright blood group) Homo sapiens
2 Dimethyl(pyridin-2-yl)sulfonium based oxime has been designed to reverse the aging process of organophosphorus inhibited AChE and to reactivate the aged-AChE adduct. Oximes acetylcholinesterase (Cartwright blood group) Homo sapiens
3 Dimethyl(pyridin-2-yl)sulfonium based oxime has been designed to reverse the aging process of organophosphorus inhibited AChE and to reactivate the aged-AChE adduct. Oximes acetylcholinesterase (Cartwright blood group) Homo sapiens
4 The free enzyme can be liberated from the inhibited acetylcholinesterase with the sulfonium compound decorated with an oxime group to avoid the administration of oxime drugs separately. Oximes acetylcholinesterase (Cartwright blood group) Homo sapiens
5 The free enzyme can be liberated from the inhibited acetylcholinesterase with the sulfonium compound decorated with an oxime group to avoid the administration of oxime drugs separately. Oximes acetylcholinesterase (Cartwright blood group) Homo sapiens
6 The computational study suggests that the newly designed oxime is a potential candidate to reactivate the aged-AChE adduct. Oximes acetylcholinesterase (Cartwright blood group) Homo sapiens