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

Journal of Medicinal Chemistry

Volumn 56, Issue 6, 2013, Pages 2500-2512

  Lodola, Alessio ^a   Capoferri, Luigi ^a   Rivara, Silvia ^a   Tarzia, Giorgio ^b   Piomelli, Daniele ^c,d   Mulholland, Adrian ^e   Mor, Marco ^a  

^a UNIVERSITY OF PARMA   (Italy)

^b UNIVERSITY OF URBINO   (Italy)

^c ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^d UNIVERSITY OF CALIFORNIA   (United States)

^e UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOHEXYLCARBAMIC ACID 3' CARBAMOYLBIPHENYL 3 YL ESTER; FATTY ACID AMIDASE; OLEAMIDE; SERINE;

ANIMAL EXPERIMENT; ARTICLE; CARBAMOYLATION; CHEMICAL MODEL; COVALENT BOND; DEACYLATION; ENZYME REACTIVATION; ENZYME SUBSTRATE; HUMAN; HYDROLYSIS; INHIBITION KINETICS; MOLECULAR MECHANICS; MOUSE; NONHUMAN; QUANTUM MECHANICS;

ACYLATION; AMIDOHYDROLASES; BENZAMIDES; CARBAMATES; ENZYME ACTIVATION; ENZYME INHIBITORS; ENZYME STABILITY; MODELS, MOLECULAR; PROTEIN CONFORMATION; QUANTUM THEORY;

EID: 84875754855     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm301867x     Document Type: Article

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