In silico idetification of potential cholestasis-inducing agents via modeling of Na+-dependent taurocholate cotransporting polypeptide substrate specificity

Toxicological Sciences

Volumn 129, Issue 1, 2012, Pages 35-48

  Greupink, Rick ^a   Nabuurs, Sander B ^a,c   Zarzycka, Barbara ^b   Verweij, Vivienne ^a   Monshouwer, Mario ^b   Huisman, Maarten T ^b   Russel, Frans G M ^a  

^a RADBOUD UNIVERSITY MEDICAL CENTER   (Netherlands)

^b Janssen Pharmaceutical Companies of Johnson and Johnson ^*  (Belgium)

^c Lead Pharma Medicine   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CHOLIC ACID; ESTRONE SULFATE; GLYCOCHOLIC ACID; MEMBRANE PROTEIN; SODIUM DEPENDENT TAUROCHOLATE COTRANSPORTING POLYPEPTIDE; TAUROCHOLIC ACID; TAUROURSODEOXYCHOLIC ACID; UNCLASSIFIED DRUG; ORGANIC ANION TRANSPORTER; PEPTIDE;

ANIMAL CELL; ARTICLE; BILE DUCT; CANNULATION; CHO CELL; CHOLESTASIS; COMPUTER MODEL; CONTROLLED STUDY; ENZYME SPECIFICITY; ENZYME SUBSTRATE; EX VIVO STUDY; HUMAN; HUMAN CELL; HYDROGEN BOND; HYDROPHOBICITY; INHIBITION KINETICS; LIVER; LIVER CELL; MALE; NONHUMAN; PEPTIDE MAPPING; PHARMACOPHORE; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN EXPRESSION; PROTEIN INTERACTION; PROTEIN STRUCTURE; RAT; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; ANIMAL; BIOLOGICAL MODEL; CHEMICALLY INDUCED DISORDER; CHEMISTRY; COMPUTER SIMULATION; CRICETULUS; HAMSTER; METABOLISM; SPRAGUE DAWLEY RAT;

CRICETULUS GRISEUS; RATTUS;

ANIMALS; CHO CELLS; CHOLESTASIS; COMPUTER SIMULATION; CRICETINAE; CRICETULUS; HUMANS; MALE; MODELS, BIOLOGICAL; ORGANIC ANION TRANSPORTERS, SODIUM-DEPENDENT; PEPTIDES; RATS; RATS, SPRAGUE-DAWLEY; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY; TAUROCHOLIC ACID;

EID: 84865740916     PISSN: 10966080     EISSN: 10960929     Source Type: Journal    
DOI: 10.1093/toxsci/kfs188     Document Type: Article

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