A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields

Journal of Medicinal Chemistry

Volumn 54, Issue 6, 2011, Pages 1740-1751

  Broccatelli, Fabio ^a   Carosati, Emanuele ^a   Neri, Annalisa ^b   Frosini, Maria ^b   Goracci, Laura ^c   Oprea, Tudor I ^d   Cruciani, Gabriele ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF SIENA   (Italy)

^c Molecular Discovery Limited   (United Kingdom)

^d UNIVERSITY OF NEW MEXICO SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALPRENOLOL; APRINDINE; ARIPIPRAZOLE; CYCLOSPORIN A; EBASTINE; MULTIDRUG RESISTANCE PROTEIN 1; NATEGLINIDE; REPAGLINIDE; SERTINDOLE; TICARCILLIN; ZIPRASIDONE;

ACCURACY; ANIMAL CELL; ARTICLE; CELL TRANSPORT; COMPETITIVE INHIBITION; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG PROTEIN BINDING; EXTERNAL VALIDITY; INTERMETHOD COMPARISON; INTERNAL VALIDITY; MOLECULAR INTERACTION FIELD; MOUSE; NONHUMAN; PHARMACOPHORE; SENSITIVITY AND SPECIFICITY;

ANIMALS; BUTYROPHENONES; CELL LINE, TUMOR; CELL MEMBRANE PERMEABILITY; DRUG DESIGN; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MICE; MODELS, MOLECULAR; MOLECULAR STRUCTURE; P-GLYCOPROTEIN; PIPERAZINES; PIPERIDINES; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINOLONES;

EID: 79952779478     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm101421d     Document Type: Article

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