De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J Med Chem
; 56(7): 3115-9, 2013 Apr 11.
Article
em En
| MEDLINE
| ID: mdl-23509929
ABSTRACT
The use of fragments with low binding affinity for their targets as starting points has received much attention recently. Screening of fragment libraries has been the most common method to find attractive starting points. Herein, we describe a unique, alternative approach to generating fragment leads. A binding model was developed and a set of guidelines were then selected to use this model to design fragments, enabling our discovery of a novel fragment with high LE.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
/
Química Farmacêutica
Idioma:
En
Revista:
J Med Chem
Ano de publicação:
2013
Tipo de documento:
Article