Chemical and protein structural basis for biological crosstalk between PPARα and COX enzymes

Journal of Computer-Aided Molecular Design

Volumn 29, Issue 2, 2015, Pages 101-112

  Cleves, Ann E ^a   Jain, Ajay N ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Binding site similarity; Docking; Fibrates; Molecular similarity; Nuclear hormone receptors; Off target prediction; Polypharmacology

Indexed keywords

CROSSTALK; ENZYMES; FORECASTING; MOLECULES;

BINDING SITE SIMILARITY; BINDING-SITES; CYCLOOXYGENASES; DOCKING; FIBRATES; MOLECULAR SIMILARITY; NUCLEAR HORMONE RECEPTOR; OFF-TARGET PREDICTION; POLYPHARMACOLOGY; TARGET PREDICTION;

BINDING SITES;

PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA; PROSTAGLANDIN SYNTHASE; LIGAND; MOLECULAR LIBRARY; PROTEIN BINDING;

ARTICLE; ENZYME ASSAY; IN VITRO STUDY; LIGAND BINDING; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN EXPRESSION; PROTEIN STRUCTURE; PROTEIN TARGETING; SEQUENCE ALIGNMENT; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR LIBRARY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

COMPUTATIONAL BIOLOGY; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PPAR ALPHA; PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES;

EID: 84922104999     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9815-2     Document Type: Article

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