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Quantum mechanics/molecular mechanics modeling of fatty acid amide hydrolase reactivation distinguishes substrate from irreversible covalent inhibitors

Carbamate and urea derivatives are important classes of fatty acid amide hydrolase (FAAH) inhibitors that carbamoylate the active-site nucleophile Ser241. In the present work, the reactivation mechanism of carbamoylated FAAH is investigated by means of a quantum mechanics/molecular mechanics (QM/MM)...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Lodola, Alessio, Capoferri, Luigi, Rivara, Silvia, Tarzia, Giorgio, Piomelli, Daniele, Mulholland, Adrian, Mor, Marco
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2013
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC3724458/
https://ncbi.nlm.nih.gov/pubmed/23425199
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm301867x
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