The correlation between electronic structure and antimalarial activity of alkoxylated and hydroxylated chalcones


Autoria(s): Batagin-Neto, Augusto; Lavarda, Francisco Carlos
Contribuinte(s)

Universidade Estadual Paulista (UNESP)

Data(s)

27/05/2014

27/05/2014

11/06/2013

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.

Formato

1-7

Identificador

http://dx.doi.org/10.1007/s00044-013-0667-4

Medicinal Chemistry Research, p. 1-7.

1054-2523

1554-8120

http://hdl.handle.net/11449/75630

10.1007/s00044-013-0667-4

WOS:000330766600003

2-s2.0-84878647429

Idioma(s)

eng

Relação

Medicinal Chemistry Research

Direitos

closedAccess

Palavras-Chave #Antimalarials #Chalcones #Electronic structure #Molecular modeling
Tipo

info:eu-repo/semantics/article