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

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dc.creatorPolisel, Daniel A.
dc.creatorCastro, Alexandre A. de
dc.creatorMancini, Daiana T.
dc.creatorCunha, Elaine F. F. da
dc.creatorFrança, Tanos C. C.
dc.creatorRamalho, Teodorico C.
dc.creatorKuca, Kamil
dc.date.accessioned2020-04-08T19:12:35Z
dc.date.available2020-04-08T19:12:35Z
dc.date.issued2019-08
dc.description.abstractStudies 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.pt_BR
dc.identifier.citationPOLISEL, D. A. et al. Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: theoretical and experimental aspects. Chemico-Biological Interactions, [S.l.], v. 309, Aug. 2019.pt_BR
dc.identifier.urihttps://repositorio.ufla.br/handle/1/39918
dc.identifier.urihttps://www.sciencedirect.com/science/article/abs/pii/S0009279719302959pt_BR
dc.languageen_USpt_BR
dc.publisherElsevierpt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceChemico-Biological Interactionspt_BR
dc.subjectNerve agentspt_BR
dc.subjectReactivatorpt_BR
dc.subjectMechanistic studiespt_BR
dc.titleSlight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: theoretical and experimental aspectspt_BR
dc.typeArtigopt_BR

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