From molecular docking to 3D-quantitative structure-activity relationships (3D-QSAR): Insights into the binding mode of 5-Lipoxygenase inhibitors

Molecular Informatics

Volumn 31, Issue 2, 2012, Pages 123-134

  Eren, Gokcen ^a   MacChiarulo, Antonio ^b   Banoglu, Erden ^a  

^a GAZI UNIVERSITY   (Turkey)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

3D QSAR; 5 LO; Molecular docking; Nonredox 5 LO inhibitor

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR MODELING;

3D-QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; 5-LIPOXYGENASE; BINDING MODES; GAINING INSIGHTS; LIPOXYGENASES; MOLECULAR DOCKING; NONREDOX 5-LIPOXYGENASE INHIBITOR; PREDICTIVE MODELS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP;

BINDING ENERGY;

ARACHIDONATE 5 LIPOXYGENASE; LIGAND; LIPOXYGENASE INHIBITOR;

ARTICLE; COMPETITIVE INHIBITION; CONTROLLED STUDY; HUMAN; IC 50; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VARIANCE;

EID: 84857263028     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201100101     Document Type: Article

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