Modeling androgen receptor flexibility: A binding mode hypothesis of CYP17 inhibitors/antiandrogens for prostate cancer therapy

Journal of Chemical Information and Modeling

Volumn 52, Issue 10, 2012, Pages 2670-2683

  Gianti, Eleonora ^a   Zauhar, Randy J ^a  

^a UNIVERSITY OF THE SCIENCES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BIOCHEMISTRY; DISEASES; LEAD COMPOUNDS; LIGANDS; STEROID HORMONES; UROLOGY;

ANDROGEN RECEPTORS; CONFORMATIONAL PLASTICITY; DIRECT MODULATION; LIGAND BINDING DOMAIN; MOLECULAR DETERMINANTS; STEROID HORMONE RECEPTORS; STRUCTURE BASED DRUG DESIGNS; THERAPEUTIC TARGETS;

CALCIUM COMPOUNDS;

3 HYDROXY 17 (1H BENZIMIDAZOLE 1 YL)ANDROSTA 5,16 DIENE; 3-HYDROXY-17-(1H-BENZIMIDAZOLE-1-YL)ANDROSTA-5,16-DIENE; ANDROGEN RECEPTOR; ANDROGEN RECEPTOR ANTAGONIST; ANDROSTANE DERIVATIVE; AR PROTEIN, HUMAN; BENZIMIDAZOLE DERIVATIVE; STEROID 17ALPHA MONOOXYGENASE; TESTOSTERONE;

ARTICLE; BINDING SITE; CHEMISTRY; CLINICAL TRIAL (TOPIC); DRUG ANTAGONISM; DRUG DESIGN; HUMAN; MALE; METABOLISM; MOLECULAR DOCKING; MUTATION; PROSTATE TUMOR; PROTEIN BINDING; PROTEIN SECONDARY STRUCTURE; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS; TUMOR CELL LINE; X RAY CRYSTALLOGRAPHY;

ANDROGEN RECEPTOR ANTAGONISTS; ANDROSTADIENES; BENZIMIDAZOLES; BINDING SITES; CELL LINE, TUMOR; CLINICAL TRIALS AS TOPIC; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; MALE; MOLECULAR DOCKING SIMULATION; MUTATION; PROSTATIC NEOPLASMS; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; RECEPTORS, ANDROGEN; STEROID 17-ALPHA-HYDROXYLASE; STRUCTURE-ACTIVITY RELATIONSHIP; TESTOSTERONE; THERMODYNAMICS;

EID: 84867754527     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3002342     Document Type: Article

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