Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.
Bioorg Med Chem Lett
; 27(8): 1709-1713, 2017 04 15.
Article
em En
| MEDLINE
| ID: mdl-28291695
ABSTRACT
Structure-based drug design is an iterative process that is an established means to accelerate lead optimization, and is most powerful when integrated with information from different sources. Herein is described the use of such methods in conjunction with deconstruction and re-optimization of a diverse series of ASK1 chemotypes along with high-throughput screening that lead to the identification of a novel series of efficient ASK1 inhibitors displaying robust MAP3K pathway inhibition.
Palavras-chave
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
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MAP Quinase Quinase Quinase 5
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Inibidores de Proteínas Quinases
Limite:
Humans
Idioma:
En
Ano de publicação:
2017
Tipo de documento:
Article