Quantum Mechanics/Molecular Mechanics Modeling of Fatty Acid Amide Hydrolase Reactivation Distinguishes Substrate from Irreversible Covalent Inhibitors

Author:

Lodola Alessio1,Capoferri Luigi1,Rivara Silvia1,Tarzia Giorgio2,Piomelli Daniele34,Mulholland Adrian5,Mor Marco1

Affiliation:

1. Dipartimento di Farmacia, Università degli Studi di Parma, I-43124 Parma, Italy

2. Dipartimento di Scienze Biomolecolari, Università degli Studi di Urbino “Carlo Bo”, I-61029, Urbino, Italy

3. Department of Drug Discovery and Development, Istituto Italiano di Tecnologia, I-16163 Genova, Italy

4. Department of Anatomy and Neurobiology, University of California, Irvine, California 92697, United States

5. School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

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