Artigo
The correlation between electronic structure and antimalarial activity of alkoxylated and hydroxylated chalcones
Fecha
2013-06-11Registro en:
Medicinal Chemistry Research, p. 1-7.
1054-2523
1554-8120
10.1007/s00044-013-0667-4
WOS:000330766600003
2-s2.0-84878647429
9457018963105073
Autor
Universidade Estadual Paulista (Unesp)
Resumen
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.