Navegando por Assunto Organophosphorus compounds

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2023Assessing the therapeutic and toxicological profile of novel acetylcholinesterase reactivators: value of in silico and in vitro dataRamalho, Teodorico de C.; Castro, Alexandre A. de; Leal, Daniel H.S.; Teixeira, Jessika P.; Cunha, Elaine F.F. da; Kuca, Kamil
Nov-2016Asymmetric biocatalysis of the nerve agent VX by human serum paraoxonase 1: molecular docking and reaction mechanism calculationsSartorelli, Jaqueline; Castro, Alexandre A. de; Ramalho, Teodorico C.; Giacoppo, Juliana O. S.; Mancini, Daiana T.; Caetano, Melissa S.; Cunha, Elaine F. F. da
2019Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: chemometrics, molecular docking and hybrid QM/MM calculationsCastro, Alexandre A. de; Soares, Flávia Villela; Pereira, Ander Francisco; Silva, Telles Cardoso; Silva, Daniela Rodrigues; Mancini, Daiana Teixeira; Caetano, Melissa Soares; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Abr-2020Detection of chemical weapon agents using spectroscopic probes: a computational studyBraga, Letícia S.; Silva, Érika F.; Mancini, Daiana T.; Rocha, Eduardo P. da; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2019Esterase 2 as a fluorescent biosensor for the detection of organophosphorus compounds: docking and electronic insights from molecular dynamicsPrandi, Ingrid G.; Ramalho, Teodorico C.; França, Tanos C. C.
10-Jul-2018In silico study on the influence of isomeric oximes for reactivation of Organophosphorus-inhibited AChEPolisel, Daniel Angelo
16-Jun-2016Modelagem molecular de sensores químicos fluorescentes derivados de oximas para detecção de organofosforadosSilva, Érika Ferreira
2019Non-conventional compounds with potential therapeutic effects against Alzheimer’s diseaseCastro, Alexandre A. de; Soares, Flávia V.; Pereira, Ander F.; Polisel, Daniel A.; Caetano, Melissa S.; Leal, Daniel H. S.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
2017Not all third-row elements experience the fluorine gauche effect: β-fluorinated organophosphorus compoundsAndrade, Laize A. F.; Freitas, Matheus P.
Jan-2022Theoretical and X-Ray evidence of electrostatic phosphonium anti and gauche effectsMartins, Francisco A.; Chagas, Poliane; Thomasi, Sérgio S.; Oliveira, Luiz C. A.; Diniz, Renata; Freitas, Matheus P.
2018Theoretical studies applied to the evaluation of the DFPase bioremediation potential against chemical warfare agents intoxicationSoares, Flávia V.; Castro, Alexandre A. de; Pereira, Ander F.; Leal, Daniel H. S.; Mancini, Daiana T.; Krejcar, Ondrej; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; Kuca, Kamil
2020Trends in the recent patent literature on cholinesterase reactivators (2016-2019)Castro, Alexandre A. de; Assis, Letícia C.; Soares, Flávia V.; Kuca, Kamil; Polisel, Daniel A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.