Addressing toxicity risk when designing and selecting compounds in early drug discovery.
Drug Discov Today
; 19(5): 688-93, 2014 May.
Article
em En
| MEDLINE
| ID: mdl-24451294
ABSTRACT
Prioritising compounds with a lower chance of causing toxicity, early in the drug discovery process, would help to address the high attrition rate in pharmaceutical R&D. Expert knowledge-based prediction of toxicity can alert chemists if their proposed compounds are likely to have an increased likelihood of causing toxicity. We will discuss how multiparameter optimisation approaches can be used to balance the potential for toxicity with other properties required in a high-quality candidate drug, giving appropriate weight to the alert in the selection of compounds. Furthermore, we will describe how information about the region of a compound that triggers a toxicity alert can be interactively visualised to guide the modification of a compound to reduce the likelihood of toxicity.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
/
Efeitos Colaterais e Reações Adversas Relacionados a Medicamentos
/
Descoberta de Drogas
Tipo de estudo:
Etiology_studies
/
Prognostic_studies
/
Risk_factors_studies
Limite:
Animals
/
Humans
Idioma:
En
Ano de publicação:
2014
Tipo de documento:
Article