In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - A Comparative Study of Virtual Screening Performance

Molecular Informatics

Volumn 34, Issue 6-7, 2015, Pages 431-457

  Kaserer, Teresa ^a   Höferl, Martina ^b   Müller, Klara ^a   Elmer, Sebastian ^a   Ganzera, Markus ^a   Jäger, Walter ^b   Schuster, Daniela ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

2D similarity; Docking; Metabolism; Pharmacophore modeling; Shape based modeling

Indexed keywords

CYTOCHROME P450 1A2; CYTOCHROME P450 2C9; CYTOCHROME P450 3A4; CYP1A2 PROTEIN, HUMAN; CYP2C9 PROTEIN, HUMAN; CYP3A4 PROTEIN, HUMAN; CYTOCHROME P450 1A2 INHIBITOR; CYTOCHROME P450 2C9 INHIBITOR; CYTOCHROME P450 3A; CYTOCHROME P450 3A INHIBITOR;

ARTICLE; COMPARATIVE STUDY; CRYSTAL STRUCTURE; DRUG CLEARANCE; DRUG METABOLISM; DRUG SCREENING; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL; THEORETICAL MODEL; CHEMISTRY; HUMAN;

CYTOCHROME P-450 CYP1A2; CYTOCHROME P-450 CYP1A2 INHIBITORS; CYTOCHROME P-450 CYP2C9; CYTOCHROME P-450 CYP2C9 INHIBITORS; CYTOCHROME P-450 CYP3A; CYTOCHROME P-450 CYP3A INHIBITORS; DRUG EVALUATION; HUMANS; MOLECULAR DOCKING SIMULATION;

EID: 84933525739     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201400192     Document Type: Article

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