SAR and QSAR studies: modelling of new DAPY derivatives.
Eur J Med Chem
; 43(3): 471-7, 2008 Mar.
Article
em En
| MEDLINE
| ID: mdl-17583387
ABSTRACT
This work describes QSAR and SAR studies on the inhibition of reverse transcriptase by 31 novel DAPY (diarylpyrimidine) derivatives using both topological and physicochemical properties and molecular modelling parameters along with indicator parameters. The application of a multiple linear regression analysis indicated that a combination of topological and physicochemical descriptors and the indicator parameters yielded a statistically significant model for the prediction of the activity, log 1/C (50% of effective concentration of DAPY derivatives for RTs). The modelling of some new potential DAPY compounds and their maximum active comformers for the inhibition of reverse transcriptase are made by quantum molecular modelling.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Pirimidinas
/
Modelos Moleculares
/
Inibidores da Transcriptase Reversa
/
Relação Quantitativa Estrutura-Atividade
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
Eur J Med Chem
Ano de publicação:
2008
Tipo de documento:
Article
País de afiliação:
Índia