Molecular docking simulations of steroid substrates into human cytosolic hydroxysteroid dehydrogenases (AKR1C1 and AKR1C2): Insights into positional and stereochemical preferences

Steroids

Volumn 71, Issue 5, 2006, Pages 380-391

  Jin, Yi ^a   Penning, Trevor M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

AutoDock; Ketosteroid reduction; Steroid binding; Substrate selectivity

Indexed keywords

ANDROGEN; ANDROSTANOLONE; GESTAGEN; HORMONE DERIVATIVE; HYDROXYSTEROID DEHYDROGENASE; PROGESTERONE; STEROID; TIBOLONE;

ARTICLE; CONFORMATION; DRUG RECEPTOR BINDING; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITION; ENZYME MECHANISM; ENZYME SPECIFICITY; ENZYME SUBSTRATE; HORMONE RECEPTOR INTERACTION; MOLECULAR MODEL; SIMULATION; STATISTICAL SIGNIFICANCE; STEREOCHEMISTRY;

20-HYDROXYSTEROID DEHYDROGENASES; BINDING SITES; COMPUTER SIMULATION; HUMANS; HYDROXYSTEROID DEHYDROGENASES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; STEREOISOMERISM; STEROIDS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33646425832     PISSN: 0039128X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.steroids.2005.12.002     Document Type: Article

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