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dc.creatorDuarte, Mariene H.-
dc.creatorBarigye, Stephen J.-
dc.creatorFreitas, Matheus P.-
dc.date.accessioned2020-07-12T23:46:56Z-
dc.date.available2020-07-12T23:46:56Z-
dc.date.issued2015-
dc.identifier.citationDUARTE, M. H.; BARIGYE, S. J.; FREITAS, M. P. Exploring MIA-QSAR´s for antimalarial quinolon-4(1H)-imines. Combinatorial Chemistry & High Throughput Screening, [S.l.], v. 18, n. 2, p. 208-216, 2015. DOI: 10.2174/1386207318666141229123349.pt_BR
dc.identifier.urihttp://www.eurekaselect.com/127205/articlept_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/41851-
dc.description.abstractA series of quinolon-4(1H)-imines have been recently discovered as antimalarials, targeting both the exoerythrocytic and erythrocytic stages of the parasite’s development stages, which correspond to the phase of clinical symptoms. Endowed with chemical and metabolic stability, the quinolon-4(1H)- imines are thus presented as promissory dual-stage antimalarials. Three versions of multivariate image analysis applied to quantitative structure-activity relationship (MIA-QSAR) methods, namely traditional MIA-QSAR, augmented MIA-QSAR (aug-MIA-QSAR) and color-encoded aug-MIA-QSAR (aug- MIA-QSARcolor), were applied to model the antimalarial activities in this series of compounds. The multiple linear regression models indicated that the aug-MIA-QSAR method is more predictive and reliable than the others (R2 = 0.8079, R2cv = 0.6647 and R2pred = 0.9691) for this series of compounds. The selected aug- MIA-QSAR descriptors were used for pattern recognition using discriminant analysis by partial least squares (PLS-DA), in order to separate compounds with low, moderate and high bioactivities.pt_BR
dc.languageen_USpt_BR
dc.publisherBentham Science Publisherspt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceCombinatorial Chemistry & High Throughput Screeningpt_BR
dc.subjectMalariapt_BR
dc.subjectMultivariate image analysispt_BR
dc.subjectmultiple linear regressionpt_BR
dc.subjectQSARpt_BR
dc.subjectPLS-DApt_BR
dc.subjectQuinolon-4(1H)-iminespt_BR
dc.subjectMultivariate image analysis (MIA)pt_BR
dc.subjectPartial least squares-discriminant analysis (PLS-DA)pt_BR
dc.titleExploring MIA-QSAR´s for antimalarial quinolon-4(1H)-iminespt_BR
dc.typeArtigopt_BR
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