| Understanding the role of carbamate reactivity in fatty acid amide hydrolase inhibition by QM/MM mechanistic modelling. | |
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MedLine Citation:
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PMID: 21240393 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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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. |
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Authors:
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Alessio Lodola; Luigi Capoferri; Silvia Rivara; Ewa Chudyk; Jitnapa Sirirak; Edyta Dyguda-Kazimierowicz; W Andrzej Sokalski; Mauro Mileni; Giorgio Tarzia; Daniele Piomelli; Marco Mor; Adrian J Mulholland |
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Publication Detail:
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Type: JOURNAL ARTICLE Date: 2011-1-14 |
Journal Detail:
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Title: Chemical communications (Cambridge, England) Volume: - ISSN: 1364-548X ISO Abbreviation: - Publication Date: 2011 Jan |
Date Detail:
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Created Date: 2011-1-17 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9610838 Medline TA: Chem Commun (Camb) Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
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Dipartimento Farmaceutico, Università degli Studi di Parma, 43124 Parma, Italy. Alessio.Lodola@unipr.it. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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