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  • Title: QM/MM modelling of oleamide hydrolysis in fatty acid amide hydrolase (FAAH) reveals a new mechanism of nucleophile activation.
    Author: Lodola A, Mor M, Hermann JC, Tarzia G, Piomelli D, Mulholland AJ.
    Journal: Chem Commun (Camb); 2005 Sep 21; (35):4399-401. PubMed ID: 16136230.
    Abstract:
    Fatty acid amide hydrolase (FAAH), a promising target for the treatment of several central and peripheral nervous system disorders, such as anxiety, pain and hypertension, has an unusual catalytic site, and its mechanism has been uncertain; hybrid quantum mechanics/molecular mechanics (QM/MM) calculations reveal a new mechanism of nucleophile activation (involving a Lys-Ser-Ser catalytic triad), with potentially crucial insights for the design of potent and selective inhibitors.
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