Application of molecular topology to the prediction of the antimalarial activity of a group of uracil-based acyclic and deoxyuridine compounds.
Int J Pharm
; 363(1-2): 78-84, 2008 Nov 03.
Article
em En
| MEDLINE
| ID: mdl-18675892
ABSTRACT
A topological-mathematical model has been arranged to search for new derivatives of deoxyuridine and related compounds acting as antimalarials against Plasmodium falciparum. By using linear discriminant and multilinear regression analysis a model with two functions was capable to predict adequately the IC(50) for each compound of the training and test series. After carrying out a virtual screening based upon such a model, new structures potentially active against P. falciparum are proposed.
Texto completo:
1
Coleções:
01-internacional
Contexto em Saúde:
3_ND
Base de dados:
MEDLINE
Assunto principal:
Uracila
/
Desenho de Fármacos
/
Modelos Moleculares
/
Tecnologia Farmacêutica
/
Desenho Assistido por Computador
/
Desoxiuridina
/
Antimaláricos
Tipo de estudo:
Diagnostic_studies
/
Prognostic_studies
/
Risk_factors_studies
Limite:
Animals
Idioma:
En
Revista:
Int J Pharm
Ano de publicação:
2008
Tipo de documento:
Article