Pharmacophore modeling of nilotinib as an inhibitor of ATP-binding cassette drug transporters and BCR-ABL kinase using a three-dimensional quantitative structure-activity relationship approach

Molecular Pharmaceutics

Volumn 11, Issue 7, 2014, Pages 2313-2322

  Shukla, Suneet ^a   Kouanda, Abdul ^a   Silverton, Latoya ^a   Talele, Tanaji T ^b   Ambudkar, Suresh V ^a  

^a NATIONAL CANCER INSTITUTE   (United States)

^b ST JOHN'S UNIVERSITY   (United States)

Author keywords

ABCG2; ATP binding cassette transporters; BCR ABL kinase; imatinib; nilotinib; P glycoprotein; structure activity relationship; tyrosine kinase inhibitor

Indexed keywords

BCR ABL PROTEIN; BREAST CANCER RESISTANCE PROTEIN; MULTIDRUG RESISTANCE PROTEIN; NCGC 10; NCGC 11; NCGC 12; NCGC 13; NCGC 14; NCGC 15; NCGC 16; NCGC 17; NCGC 18; NCGC 19; NCGC 2; NCGC 20; NCGC 21; NCGC 22; NCGC 23; NCGC 24; NCGC 25; NCGC 26; NCGC 3; NCGC 4; NCGC 5; NCGC 6; NCGC 7; NCGC 8; NILOTINIB; PROTEIN TYROSINE KINASE INHIBITOR; UNCLASSIFIED DRUG; 4-METHYL-N-(3-(4-METHYLIMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO)BENZAMIDE; ABC TRANSPORTER; ANTINEOPLASTIC AGENT; PROTEIN KINASE INHIBITOR; PYRIMIDINE DERIVATIVE;

ARTICLE; CONTROLLED STUDY; DRUG PROTEIN BINDING; ENZYME ACTIVITY; ENZYME INHIBITION; IC 50; IN VITRO STUDY; MOLECULAR MODEL; PHARMACOPHORE; PHOTOAFFINITY LABELING; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ANTAGONISTS AND INHIBITORS; CHEMISTRY; HUMAN; MCF-7 CELL LINE; TUMOR CELL LINE;

ANTINEOPLASTIC AGENTS; ATP-BINDING CASSETTE TRANSPORTERS; CELL LINE, TUMOR; FUSION PROTEINS, BCR-ABL; HUMANS; MCF-7 CELLS; P-GLYCOPROTEINS; PROTEIN KINASE INHIBITORS; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84903974311     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp400762h     Document Type: Article

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