Theoretical study of the influence of spatial atomic arrangement in trypanocidal sesquiterpene lactones with high selectivity index

SÜLSEN, V.; FABIAN, L.; FRANK, F.; CAZORLA, S.; FINKIELSZTEIN, L.; MARTINO, V.; MUSCHIETTI, L.;CATALÁN C ; MOGLIONI, A

Brasil

Simposio; 5th Brazilian Symposium on Medicinal Chemistry ? BrazMedChem2010; 2010

Brazilian Chemical Society (SBQ). Division of Medicinal Chemistry.

The theoretical study developed on these natural compounds, allowed us to conclude that: The presence of the lactone function appears to be essential for the activity observed but not the C=C conjugated to the carbonyl group of the lactone. The size and location of the substituents on cyclic system also appears to be determinant in the observed activity.