Identification of novel breast cancer resistance protein (BCRP) inhibitors by virtual screening

Molecular Pharmaceutics

Volumn 10, Issue 4, 2013, Pages 1236-1248

  Pan, Yongmei ^a   Chothe, Paresh P ^a   Swaan, Peter W ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

BCRP; inhibitors and MCF 7 AdrVp; SAR models; transport function; virtual screening

Indexed keywords

1,2,3,4,6,7,12,12A OCTAHYDRO 6 ISOBUTYL 9 METHOXY 1,4 DIOXOPYRAZINO[1',2':1,6]PYRIDO[3,4 B]INDOLE 3 PROPANOIC ACID TERT BUTYL ESTER; AMLODIPINE; ANTINEOPLASTIC AGENT; BREAST CANCER RESISTANCE PROTEIN; BREAST CANCER RESISTANCE PROTEIN INHIBITOR; BUTOCONAZOLE; CILOSTAZOL; CLOMIFENE; DEXTROMETHORPHAN; DICYCLOVERINE; DIMENHYDRINATE; DONEPEZIL; DOXORUBICIN; EPROSARTAN; ESTRAMUSTINE; ESTRONE; EZETIMIBE; FUMITREMORGIN C; METOCLOPRAMIDE; NICERGOLINE; NISOLDIPINE; PAPAVERINE; PIMOZIDE; PREGNENOLONE; PROCHLORPERAZINE; PROMETHAZINE; PROTEIN INHIBITOR; RALOXIFENE; UNCLASSIFIED DRUG; VERAPAMIL;

ARTICLE; BAYES THEOREM; BREAST CANCER; CANCER THERAPY; CELL STRAIN MCF 7; COMPUTATIONAL FLUID DYNAMICS; CONTROLLED STUDY; DATA BASE; DRUG INTERACTION; DRUG SCREENING; FOOD AND DRUG ADMINISTRATION; HUMAN; IN VITRO STUDY; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN ANALYSIS;

ALGORITHMS; ANTINEOPLASTIC AGENTS; ATP-BINDING CASSETTE TRANSPORTERS; BAYES THEOREM; CELL LINE, TUMOR; COMPUTER SIMULATION; DRUG DESIGN; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; GENE EXPRESSION REGULATION, NEOPLASTIC; HUMANS; HYDROGEN BONDING; INHIBITORY CONCENTRATION 50; KINETICS; LIGANDS; NEOPLASM PROTEINS; REPRODUCIBILITY OF RESULTS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84875770202     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp300547h     Document Type: Article

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