Computational discovery of novel low micromolar human pregnane X receptor antagonists

Molecular Pharmacology

Volumn 74, Issue 3, 2008, Pages 662-672

  Ekins, Sean ^a,b,c   Kholodovych, Vladyslav ^c   Ai, Ni ^c   Sinz, Michael ^d   Gal, Joseph ^e   Gera, Lajos ^e   Welsh, William J ^c   Bachmann, Kenneth ^f   Mani, Sridhar ^g  

^a Collaborations in Chemistry ^*  (United States)

^b UNIVERSITY OF MARYLAND   (United States)

^c RUTGERS ROBERT WOOD JOHNSON MEDICAL SCHOOL   (United States)

^d BRISTOL MYERS SQUIBB   (United States)

^e UNIVERSITY OF COLORADO SCHOOL OF MEDICINE   (United States)

^f UNIVERSITY OF TOLEDO   (United States)

^g ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTINEOPLASTIC AGENT; BESTATIN; COUMESTROL; DOCKING PROTEIN; INDOMETACIN; ITRACONAZOLE; KETOCONAZOLE; LEFLUNOMIDE; MACROLIDE; PREGNANE X RECEPTOR; PREGNANE X RECEPTOR ANTAGONIST; PYRROLE; RIFAMPICIN; ROSMARINIC ACID; SPB 00574; SPB 03255; SULFORAPHANE; UNCLASSIFIED DRUG; WARFARIN;

ANIMAL CELL; ARTICLE; COMPUTATIONAL PHARMACOPHORE; CONTROLLED STUDY; DRUG BINDING SITE; DRUG STRUCTURE; HUMAN; HUMAN CELL; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN PROTEIN INTERACTION; SITE DIRECTED MUTAGENESIS; TRANSCRIPTION REGULATION; XENOBIOTIC METABOLISM;

CELL LINE, TUMOR; COMPUTATIONAL BIOLOGY; DRUG DESIGN; HUMANS; IMIDAZOLES; LIGANDS; MODELS, MOLECULAR; MUTAGENESIS, SITE-DIRECTED; MUTANT PROTEINS; RECEPTORS, STEROID;

EID: 50449109998     PISSN: 0026895X     EISSN: 15210111     Source Type: Journal    
DOI: 10.1124/mol.108.049437     Document Type: Article

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