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| Titel: |
Design of a Novel Inhibitor of Class A β-lactamases by a Computational Method |
| Auteur: |
Campos, Maria Gonzalez, Humberto Bocaz, Gaston Vasquez, Osman Paredes, Roberto Parra, Cecilia |
| Verschenen in: |
International journal of polymeric materials |
| Paginering: | Jaargang 34 (1996) nr. 3-4 pagina's 233-238 |
| Jaar: |
1996-12-01 |
| Inhoud: |
A new inhibitor bromopenem (6 β-bromo-1-dioxi-penem) for class A β-lactamases has been designed by computational methods. The structure was developed by applying the minimization MM2 of the Alchemy III program and compared with the one of the BRL 42715. The inhibitor is a penem derivative analogous of the substrate and covalently bound to the reactive serine 70. Bromopenem has some structural features of the following inhibitors: 6 β-bromo- penicillanic acid, sulbactam and BRL 42715. Its stability energy is 44.74 (Kcal/mol), mostly lower to the other inhibitors studied. The interaction between bromopenem and the crystal structure of E. coli TEM-1 β-lactamase at 1.8 Å is also given, by using the minimization MM2 of the Alchemy III and RasMol programs. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 4 van 15 gevonden artikelen
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