Ethyl and methylphenylcarbamates as antihelmintic agents: theoretical study for predicting their biological activity by PM3

Authors
Angeles, E Martinez, P Keller, J Martinez, R Rubio, M Ramirez, G Castillo, R Lopez-Castanares, R Jimenez, E
Citation
E. Angeles et al., Ethyl and methylphenylcarbamates as antihelmintic agents: theoretical study for predicting their biological activity by PM3, J MOL ST-TH, 504, 2000, pp. 141-170
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
504
Year of publication
2000
Pages
141 - 170
Database
ISI
SICI code
0166-1280(20000612)504:<141:EAMAAA>2.0.ZU;2-P
Abstract
PM3 calculations have been carried out on alkyl 4-(R)-phenylcarbamates and benzimidazole compounds in order to identify electronic features similitude using Principal Component Analysis, Canonic Analysis, stepwise Multiple Re gression and Cluster Analysis. We have been able to establish a trend to pr edict antihelmintic activity for the best candidates of alkyl 4-(R)-phenylc arbamates. (C) 2000 Elsevier Science B.V. All rights reserved.