Please use this identifier to cite or link to this item: http://repositorio.ufla.br/jspui/handle/1/28364
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dc.creatorRamalho, Teodorico C.-
dc.creatorFrança, Tanos C.C.-
dc.creatorRennó, Magdalena N.-
dc.creatorGuimarães, Ana P.-
dc.creatorCunha, Elaine F. F. da-
dc.creatorKuča, Kamil-
dc.date.accessioned2018-01-12T12:36:47Z-
dc.date.available2018-01-12T12:36:47Z-
dc.date.issued2010-04-15-
dc.identifier.citationRAMALHO, T. C. et al. Development of new acetylcholinesterase reactivators: molecular modeling versus in vitro data. Chemico-Biological Interactions, Limerick, v. 185, n. 1, p. 73-77, 15 Apr. 2010.pt_BR
dc.identifier.urihttp://www.sciencedirect.com/science/article/pii/S0009279710000943?via%3Dihub#!pt_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/28364-
dc.description.abstractIn this work a theoretical methodology for evaluation of the association and kinetic reactivation constants of oximes using the Molegro® and Spartan® softwares was proposed and validated facing in vitro data previously reported in the literature. Results showed a very good agreement between the theoretical binding free energies of the reactivators and experimental data, suggesting that the proposed methodology could work well in the prediction of kinetic and thermodynamics parameters for oximes that might be helpful for the design and selection of new and more effective oximes.pt_BR
dc.languageen_USpt_BR
dc.publisherElsevierpt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceChemico-Biological Interactionspt_BR
dc.subjectAcetylcholinesterasept_BR
dc.subjectChemical mechanism of reactivationpt_BR
dc.subjectNeurotoxic agentspt_BR
dc.subjectMecanismo químico de reativaçãopt_BR
dc.subjectAcetilcolinesterasept_BR
dc.subjectAgentes neurotóxicospt_BR
dc.titleDevelopment of new acetylcholinesterase reactivators: molecular modeling versus in vitro datapt_BR
dc.typeArtigopt_BR
Appears in Collections:DQI - Artigos publicados em periódicos

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