Please use this identifier to cite or link to this item: http://repositorio.ufla.br/jspui/handle/1/30446
metadata.artigo.dc.title: Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
metadata.artigo.dc.creator: Gajo, Giovanna Cardoso
Assis, Tamiris Maria de
Assis, Letícia Cristina
Ramalho, Teodorico Castro
Cunha, Elaine Fontes Ferreira da
metadata.artigo.dc.publisher: Hindawi
metadata.artigo.dc.date.issued: 2016
metadata.artigo.dc.identifier.citation: GAJO, G. C. et al. Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors. Journal of Chemistry, [S.l.], [2016?].
metadata.artigo.dc.description.abstract: A series of pyridylthiazole derivatives developed by Lawrence et al. as Rho-associated protein kinase inhibitors were subjected to four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis. The models were generated applying genetic algorithm (GA) optimization combined with partial least squares (PLS) regression. The best model presented validation values of , , , , , , and . Furthermore, analyzing the descriptors it was possible to propose new compounds that predicted higher inhibitory concentration values than the most active compound of the series.
metadata.artigo.dc.identifier.uri: http://repositorio.ufla.br/jspui/handle/1/30446
metadata.artigo.dc.language: pt_BR
Appears in Collections:DQI - Artigos publicados em periódicos



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