Discovery of diverse thyroid hormone receptor antagonists by high-throughput docking

Proceedings of the National Academy of Sciences of the United States of America

Volumn 100, Issue 12, 2003, Pages 7354-7359

  Schapira, Matthieu ^a   Raaka, Bruce M ^b   Das, Sharmistha ^b   Fan, Li ^c   Totrov, Maxim ^a   Zhou, Zhiguo ^c   Wilson, Stephen R ^c   Abagyan, Ruben ^a   Samuels, Herbert H ^b  

^a MOLSOFT LLC   (United States)

^b NEW YORK UNIVERSITY SCHOOL OF MEDICINE   (United States)

^c NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIESTROGEN; COMPOUND 1 2408; COMPOUND 1 3501; COMPOUND 1 3570; COMPOUND 1 3992; COMPOUND 1 4323; COMPOUND 1 850; COMPOUND 2 1060; COMPOUND 2 1276; COMPOUND 2 1281; COMPOUND 2 1578; COMPOUND 2 1755; COMPOUND 2 1915; COMPOUND 2 274; COMPOUND 2 284; ESTROGEN RECEPTOR ALPHA; GW 6471; IODINE 125; LIOTHYRONINE RECEPTOR; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONIST; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ANTAGONIST; RALOXIFENE; RECEPTOR BLOCKING AGENT; RETINOIC ACID RECEPTOR ALPHA; ROSIGLITAZONE; TAMOXIFEN; THYROID HORMONE RECEPTOR; THYROID HORMONE RECEPTOR ANTAGONIST; THYROXINE RECEPTOR; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ALGORITHM; ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG STRUCTURE; HELA CELL; HIGH THROUGHPUT DOCKING; HORMONE ACTION; HORMONE RECEPTOR INTERACTION; HUMAN; HUMAN CELL; HYPERTHYROIDISM; HYPOPHYSIS CELL; INFORMATION SYSTEM; LIGAND BINDING; PRIORITY JOURNAL; RECEPTOR BLOCKING; THYROID DISEASE; VIRTUAL LIBRARY SCREENING;

DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HELA CELLS; HUMANS; HYPERTHYROIDISM; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; RECEPTORS, THYROID HORMONE; STRUCTURE-ACTIVITY RELATIONSHIP; TRIIODOTHYRONINE; USER-COMPUTER INTERFACE;

EID: 0037495033     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.1131854100     Document Type: Article

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