QM/MM simulations as an assay for carbapenemase activity in class A ß-lactamases.
Chem Commun (Camb)
; 50(94): 14736-9, 2014 Dec 07.
Article
en En
| MEDLINE
| ID: mdl-25321894
ABSTRACT
Carbapenems, 'last resort' antibiotics for many bacterial infections, can now be broken down by several class A ß-lactamases (i.e. carbapenemases). Here, carbapenemase activity is predicted through QM/MM dynamics simulations of acyl-enzyme deacylation, requiring only the 3D structure of the apo-enzyme. This may assist in anticipating resistance and future antibiotic design.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Teoría Cuántica
/
Proteínas Bacterianas
/
Beta-Lactamasas
/
Pruebas de Enzimas
Idioma:
En
Revista:
Chem Commun (Camb)
Asunto de la revista:
QUIMICA
Año:
2014
Tipo del documento:
Article