Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: theoretical and experimental aspects

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorPolisel, Daniel A.-
Autor(es): dc.creatorCastro, Alexandre A. de-
Autor(es): dc.creatorMancini, Daiana T.-
Autor(es): dc.creatorCunha, Elaine F. F. da-
Autor(es): dc.creatorFrança, Tanos C. C.-
Autor(es): dc.creatorRamalho, Teodorico C.-
Autor(es): dc.creatorKuca, Kamil-
Data de aceite: dc.date.accessioned2026-02-09T11:59:43Z-
Data de disponibilização: dc.date.available2026-02-09T11:59:43Z-
Data de envio: dc.date.issued2020-04-08-
Data de envio: dc.date.issued2020-04-08-
Data de envio: dc.date.issued2019-08-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/39918-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/abs/pii/S0009279719302959-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1152046-
Descrição: dc.descriptionStudies with oximes have been extensively developed to design new reactivators with better efficiency, and greater spectrum of action. In this study, we aimed to analyze the influence of the Carbamoyl group position change in two isomeric oximes, K203 and K206, on the reactivation percentage of Mus musculus Acetylcholinesterase (MmAChE), inhibited by different nerve agents. Theoretical calculations were performed to assess the difference for the oxime activity with inhibited AChE-complexes and the factors that govern this difference. Comparing theoretical and experimental data, it is possible to observe that this change between the oximes results in different reactivation percentage for the same nerve agent, due to the different interaction modes and activation energy for the studied systems.-
Idioma: dc.languageen-
Publicador: dc.publisherElsevier-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceChemico-Biological Interactions-
Palavras-chave: dc.subjectNerve agents-
Palavras-chave: dc.subjectReactivator-
Palavras-chave: dc.subjectMechanistic studies-
Título: dc.titleSlight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: theoretical and experimental aspects-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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