Publicação: The correlation between electronic structure and antimalarial activity of tetrahydropyridines
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Data
2015-02-01
Orientador
Coorientador
Pós-graduação
Curso de graduação
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Editor
Soc Brasileira Quimica
Tipo
Artigo
Direito de acesso
Acesso aberto
Resumo
In this study, correlations between electronic structure and the antimalarial activities reported for a group of 21 tetrahydropyridines were evaluated by multivariate methods. Simple and multiple linear regressions, principal component analyses, and linear discriminant analyses were employed to evaluate possible correlations between quantum-mechanical descriptors and pharmacological activity. The results obtained provide useful information on the position of active sites of tetrahydropyridines and identify some specific features associated with active derivatives. Based on these findings, simple substitution rules are proposed for designing more efficient tetrahydropyridine derivatives.
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Idioma
Inglês
Como citar
Journal Of The Brazilian Chemical Society, v. 26, n. 2, p. 255-265, 2015.
