Insights into the mechanism and inhibition of fatty acid amide hydrolase from quantum mechanics/molecular mechanics (QM/MM) modelling

Biochemical Society Transactions

Volumn 37, Issue 2, 2009, Pages 363-367

  Lodola, Alessio ^a   Mor, Marco ^a   Sirirak, Jitnapa ^b   Mulholland, Adrian J ^b  

^a UNIVERSITY OF PARMA   (Italy)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

Fatty acid amide hydrolase (FAAH); Inhibitor design; Quantum mechanics molecular mechanics (QM MM); Reaction mechanism; Tetrahedral intermediate; Transition state

Indexed keywords

FATTY ACID AMIDASE; FATTY ACID AMIDASE INHIBITOR; OLEAMIDE; UNCLASSIFIED DRUG; URB 524; AMIDASE; BIPHENYL DERIVATIVE; CARBAMIC ACID DERIVATIVE; CYCLOHEXYLCARBAMIC ACID BIPHENYL 3 YL ESTER; CYCLOHEXYLCARBAMIC ACID BIPHENYL-3-YL ESTER; ESTER; FATTY-ACID AMIDE HYDROLASE; OLEIC ACID; OLEYLAMIDE;

ARTICLE; CARBAMOYLATION; DRUG DESIGN; DRUG METABOLISM; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME INHIBITION; ENZYME MECHANISM; MOLECULAR MECHANICS; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; PROTEIN HYDROLYSIS; PROTEIN TARGETING; QUANTUM MECHANICS; STRUCTURE ANALYSIS; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; HYDROLYSIS; METABOLISM; QUANTUM THEORY; REVIEW;

AMIDOHYDROLASES; BIPHENYL COMPOUNDS; CARBAMATES; CATALYSIS; COMPUTER SIMULATION; ESTERS; HYDROLYSIS; MODELS, CHEMICAL; OLEIC ACIDS; QUANTUM THEORY;

EID: 65549124465     PISSN: 03005127     EISSN: 14708752     Source Type: Journal    
DOI: 10.1042/BST0370363     Document Type: Article

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