Chemical warfare: perspectives on reactivating the enzyme acetylcholinesterase inhibited by organophosphates

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorGiacoppo, Juliana de O. S.-
Autor(es): dc.creatorLima, Willian E. A. de-
Autor(es): dc.creatorKuča, Kamil-
Autor(es): dc.creatorCunha, Elaine F. F. da-
Autor(es): dc.creatorFrança, Tanos C. C.-
Autor(es): dc.creatorRamalho, Teodorico de C.-
Data de aceite: dc.date.accessioned2026-02-09T12:55:26Z-
Data de disponibilização: dc.date.available2026-02-09T12:55:26Z-
Data de envio: dc.date.issued2020-05-24-
Data de envio: dc.date.issued2020-05-24-
Data de envio: dc.date.issued2014-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41185-
Fonte completa do material: dc.identifierhttps://www.mmsl.cz/artkey/mms-201404-0004_chemical-warfare-perspectives-on-reactivating-the-enzyme-acetylcholinesterase-inhibited-by-organophosphates.php-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1170992-
Descrição: dc.descriptionIt 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.-
Idioma: dc.languageen-
Publicador: dc.publisherUniversity of Defence, Faculty of Military Health Sciences-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceMilitary Medical Science Letters (MMSL)-
Palavras-chave: dc.subjectChemical warfare-
Palavras-chave: dc.subjectOrganophosphates-
Palavras-chave: dc.subjectOximes-
Palavras-chave: dc.subjectDocking-
Palavras-chave: dc.subjectQM/MM-
Palavras-chave: dc.subjectQuantum mechanics/Molecular mechanics (QM/MM)-
Título: dc.titleChemical warfare: perspectives on reactivating the enzyme acetylcholinesterase inhibited by organophosphates-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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