Understanding the role of carbamate reactivity in fatty acid amide hydrolase inhibition by QM/MM mechanistic modelling.
Chem Commun (Camb)
; 47(9): 2517-9, 2011 Mar 07.
Article
em En
| MEDLINE
| ID: mdl-21240393
ABSTRACT
QM/MM modelling of FAAH inactivation by O-biphenyl-3-yl carbamates identifies the deprotonation of Ser241 as the key reaction step, explaining why FAAH is insensitive to the electron-donor effect of conjugated substituents; this may aid design of new inhibitors with improved selectivity and in vivo potency.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Carbamatos
/
Amidoidrolases
Idioma:
En
Ano de publicação:
2011
Tipo de documento:
Article