Similar but different: Thermodynamic and structural characterization of a pair of enantiomers binding to acetylcholinesterase

Angewandte Chemie - International Edition

Volumn 51, Issue 51, 2012, Pages 12716-12720

  Berg, Lotta ^a   Niemiec, Moritz S ^a   Qian, Weixing ^a   Andersson, C David ^a   Wittung Stafshede, Pernilla ^a   Ekström, Fredrik ^b   Linusson, Anna ^a  

^a UMEÅ UNIVERSITY   (Sweden)

^b SWEDISH DEFENCE RESEARCH AGENCY   (Sweden)

Author keywords

aromatic interactions; density functional calculations; molecular recognition; nonclassical hydrogen bonds; stereoselectivity

Indexed keywords

ACETYLCHOLINESTERASE; AROMATIC INTERACTIONS; AROMATIC SIDE CHAINS; BINDING AFFINITIES; NON-COVALENT INTERACTION; PROTEIN-LIGAND COMPLEXES; THERMODYNAMIC AND STRUCTURAL CHARACTERIZATION; THERMODYNAMIC PROFILES;

AROMATIC COMPOUNDS; BINDING ENERGY; CHIRALITY; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ENANTIOMERS; HYDROGEN BONDS; MOLECULAR RECOGNITION; STEREOSELECTIVITY;

LIGANDS;

ACETYLCHOLINESTERASE; CHOLINESTERASE INHIBITOR; LIGAND;

ANIMAL; ARTICLE; CHEMISTRY; CONFORMATION; HUMAN; HYDROGEN BOND; METABOLISM; MOUSE; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; STEREOISOMERISM; SYNTHESIS; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ACETYLCHOLINESTERASE; ANIMALS; CHOLINESTERASE INHIBITORS; CRYSTALLOGRAPHY, X-RAY; HUMANS; HYDROGEN BONDING; LIGANDS; MICE; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; STEREOISOMERISM; THERMODYNAMICS;

EID: 84871027166     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201205113     Document Type: Article

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