Browsing by Author Castro, Alexandre A. de

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Showing results 1 to 10 of 10
Issue DateTitleAuthor(s)
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
Nov-2018Biotransformation of disperse dyes using nitroreductase immobilized on magnetic particles modified with tosyl group: identification of products by LC-MS-MS and theoretical studies conducted with DNAFranco, Jefferson Honorio; Silva, Bianca F. da; Castro, Alexandre A. de; Ramalho, Teodorico C.; Pividori, María Isabel; Zanoni, Maria Valnice Boldrin
2016Flexibility in the molecular design of acetylcholinesterase reactivators: probing representative conformations by chemometric techniques and docking/QM calculationsLima, Willian E. A. de; Pereira, Ander F.; Castro, Alexandre A. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Feb-2018Identification of biotransformation products of disperse dyes with rat liver microsomes by LC-MS/MS and theoretical studies with DNA: structure-mutagenicity relationship using Salmonella/microsome assayFranco, Jefferson Honorio; Silva, Bianca F. da; Oliveira, Regina V.; Meireles, Gabriela; Oliveira, Danielle Palma de; Castro, Alexandre A. de; Ramalho, Teodorico C.; Zanoni, Maria V. B.
2018Insights into the drug repositioning applied to the alzheimer's disease treatment and future perspectivesCastro, Alexandre A. de; Cunha, Elaine F. F. da; Pereira, Ander F.; Soares, Flavia V.; Leal, Daniel H. S.; Kuca, Kamil; Ramalho, Teodorico C.
Oct-2018Insights into the pharmaceuticals and mechanisms of neurological orphan diseases: current status and future expectationsRamalho, Teodorico C.; Castro, Alexandre A. de; Tavares, Tássia S.; Silva, Maria C.; Silva, Daniela R.; Cesar, Pedro H.; Santos, Lucas A.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil
Oct-2018Interactions of cantharidin-like inhibitors with human protein phosphatase-5 in a Mg2+ system: molecular dynamics and quantum calculationsAssis, Letícia C.; Castro, Alexandre A. de; Prandi, Ingrid G.; Mancini, Daiana T.; Giacoppo, Juliana O. S. de; Savedra, Ranylson M. L.; Assis, Tamiris M. de; Carregal, Juliano B.; Cunha, Elaine F. F. da; Ramalho, Teodorico Castro
2016Molecular docking, metal substitution and hydrolysis reaction of chiral substrates of phosphotriesteraseCastro, Alexandre A. de; Caetano, Melissa S.; Silva, Telles C.; Mancini, Daiana T.; Rocha, Eduardo Pereira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2018A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesteraseKuca, Kamil; Musilek, Kamil; Jun, Daniel; Zdarova-Karasova, Jana; Nepovimova, Eugenie; Soukup, Ondrej; Hrabinova, Martina; Mikler, John; Franca, Tanos C. C.; Cunha, Elaine F. F. da; Castro, Alexandre A. de; Valis, Martin; Ramalho, Teodorico C.
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