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• W2145622777 startingPage "165" @default.
• W2145622777 abstract "Summary It is known that nerve agents are potent inhibitors of acetylcholinesterase (AChE), the enzyme responsible for the hydrolysis of the neurotransmitter acetylcholine and, thus, transmission of nerve impulses. The process of AChE inhibition by nerve agents can be reversed by a nucleophile able to dephosphorylate the enzyme. In this sense, oximes exhibit this characteristic and are able to remove the neurotoxic and reactivate AChE. Here, we review experimental and theoretical results involving docking and quantum mechanical-molecular mechanics hybrid methods (QM/MM), using Molegro ® and Spartan ® softwares to analyze the interaction of different nerve agents and oximes with AChE and to evaluate kinetic constants of reactivation." @default.
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• W2145622777 date "2014-12-05" @default.
• W2145622777 modified "2023-10-18" @default.
• W2145622777 title "CHEMICAL WARFARE: PERSPECTIVES ON REACTIVATING THE ENZYME ACETYLCHOLINESTERASE INHIBITED BY ORGANOPHOSPHATES" @default.
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• W2145622777 doi "https://doi.org/10.31482/mmsl.2014.027" @default.
• W2145622777 hasPublicationYear "2014" @default.
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