Structure-activity relationship of compounds which are anti-schistosomiasis active

Citation
Cn. Alves et al., Structure-activity relationship of compounds which are anti-schistosomiasis active, J BRAZ CHEM, 9(6), 1998, pp. 577-582
Citations number
20
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
ISSN journal
01035053 → ACNP
Volume
9
Issue
6
Year of publication
1998
Pages
577 - 582
Database
ISI
SICI code
0103-5053(199811/12)9:6<577:SROCWA>2.0.ZU;2-7
Abstract
The molecular orbital method AMI was employed to calculate a set of molecul ar descriptors for twenty synthetic neolignan derivatives with anti-schisto somiasis activity. The pattern recognition method (principal component anal ysis PCA and cluster analysis CA and discriminant analysis methods) have be en employed to obtain the relationship between the molecular descriptors an d biological activity. The set of molecules was classified into two groups according to their degree of biological activity. These results allow us to rationally project new compounds, potential candidates for synthesis and b iological evaluation.