Validation of the AmpC β-lactamase binding site and identification of inhibitors with novel scaffolds

Journal of Chemical Information and Modeling

Volumn 52, Issue 5, 2012, Pages 1367-1375

  Chan, Fung Yi ^a   Neves, Marco A C ^b,c   Sun, Ning ^a   Tsang, Man Wah ^a   Leung, Yun Chung ^a   Chan, Tak Hang ^a   Abagyan, Ruben ^b   Wong, Kwok Yin ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

^c UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBIOTICS; BACTERIA; PLASTICITY TESTING; SCAFFOLDS;

DOCKING ACCURACY; ESSENTIAL FEATURES; GRAM-NEGATIVE BACTERIA; MEDIATED INTERACTION; MOLECULAR DOCKING; POSE PREDICTIONS; STRUCTURE-BASED DESIGNS; VIRTUAL SCREENING;

MOLECULES;

AMPC BETA LACTAMASES; AMPC BETA-LACTAMASES; BACTERIAL PROTEIN; BETA LACTAMASE; ENZYME INHIBITOR; LIGAND;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG EFFECT; ENTEROBACTER CLOACAE; ENZYME ACTIVATION; ENZYMOLOGY; HUMAN; IC 50; METABOLISM; MOLECULAR LIBRARY; PROTEIN BINDING; X RAY CRYSTALLOGRAPHY;

BACTERIAL PROTEINS; BETA-LACTAMASES; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; ENTEROBACTER CLOACAE; ENZYME ACTIVATION; ENZYME INHIBITORS; HUMANS; INHIBITORY CONCENTRATION 50; LIGANDS; MOLECULAR STRUCTURE; PROTEIN BINDING; SMALL MOLECULE LIBRARIES;

EID: 84861514075     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300068m     Document Type: Article

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