The correlation between electronic structure and antimalarial activity of alkoxylated and hydroxylated chalcones
Carregando...
Data
Orientador
Coorientador
Pós-graduação
Curso de graduação
Título da Revista
ISSN da Revista
Título de Volume
Editor
Tipo
Artigo
Direito de acesso
Acesso restrito
Resumo
Chalcones have shown potential to several pharmacological applications including antimalarial properties. We employed multivariate data analysis to correlate the antimalarial activity with electronic structure descriptors obtained through quantum mechanical calculations. The results show high statistical significance and bring valuable insights in order to design new compounds. © 2013 Springer Science+Business Media New York.
Descrição
Palavras-chave
Antimalarials, Chalcones, Electronic structure, Molecular modeling
Idioma
Inglês
Citação
Medicinal Chemistry Research, p. 1-7.
