Understanding substrate selectivity of human UDP-glucuronosyltransferases through QSAR modeling and analysis of homologous enzymes

Xenobiotica

Volumn 42, Issue 8, 2012, Pages 808-820

  Dong, Dong ^a   Ako, Roland ^a   Hu, Ming ^a   Wu, Baojian ^a  

^a UNIVERSITY OF HOUSTON   (United States)

Author keywords

CoMFA; Crystal structure; Glucuronidation; In Silico modeling; Pharmacophore; QSAR; UGTs

Indexed keywords

GLUCURONOSYLTRANSFERASE; GLUCURONOSYLTRANSFERASE 1A1; GLUCURONOSYLTRANSFERASE 1A10; GLUCURONOSYLTRANSFERASE 1A3; GLUCURONOSYLTRANSFERASE 1A4; GLUCURONOSYLTRANSFERASE 1A6; GLUCURONOSYLTRANSFERASE 1A7; GLUCURONOSYLTRANSFERASE 1A9; GLYCOSYLTRANSFERASE; PROTEIN; UGT2B4 PROTEIN; UNCLASSIFIED DRUG;

BIOCATALYSIS; COMPUTER MODEL; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; ENZYME STRUCTURE; ENZYME SUBSTRATE; GLUCURONIDATION; HUMAN; MOLECULAR MODEL; MOLECULAR RECOGNITION; NONHUMAN; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGULATORY MECHANISM; REVIEW; SEQUENCE HOMOLOGY; STEREOCHEMISTRY;

AMINO ACID SEQUENCE; BIOCATALYSIS; GLUCURONOSYLTRANSFERASE; HUMANS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURAL HOMOLOGY, PROTEIN; SUBSTRATE SPECIFICITY;

BACTERIA (MICROORGANISMS); MAMMALIA;

EID: 84863678590     PISSN: 00498254     EISSN: 13665928     Source Type: Journal    
DOI: 10.3109/00498254.2012.663515     Document Type: Review

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