Computer-aided drug design and ADMET predictions for identification and evaluation of novel potential farnesyltransferase inhibitors in cancer therapy

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 6, 2010, Pages 513-523

  da Silva, Carlos Henrique Tomich de Paula ^a   da Silva, Vinicius Barreto ^a   Resende, Jonathan ^a   Rodrigues, Patrícia Franco ^a   Bononi, Fernanda Cristina ^a   Benevenuto, Carolina Gomes ^a   Taft, Carlton Anthony ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

ADMET predictions; Cancer; Drug design; Farnesyltransferase; Virtual screening

Indexed keywords

ANTICANCER DRUG; CANCER DRUG; CANCER THERAPY; CLINICAL TESTS; COMPUTATIONAL METHODOLOGY; COMPUTER-AIDED DRUG DESIGN; DRUG CANDIDATES; FARNESYLTRANSFERASE; FTASE INHIBITORS; IDENTIFICATION AND EVALUATION; MOLECULAR INTERACTION FIELDS; POTENTIAL INHIBITORS; RESEARCH PROTOCOL; VIRTUAL SCREENING;

DENSITY FUNCTIONAL THEORY; DESIGN; DRUG PRODUCTS; FORECASTING; LEAD COMPOUNDS; MOLECULAR DYNAMICS;

DRUG THERAPY;

3 BENZYL 7 CYANO 2,3,4,5 TETRAHYDRO 1 (1H IMIDAZOL 4 YLMETHYL) 4 (2 THIENYLSULFONYL) 1H 1,4 BENZODIAZEPINE; ANTINEOPLASTIC AGENT; L 778123; LONAFARNIB; PROTEIN FARNESYLTRANSFERASE INHIBITOR; SCH 226734; TIPIFARNIB; U49; UNCLASSIFIED DRUG;

ARTICLE; CANCER THERAPY; COMPUTER AIDED DESIGN; DENSITY FUNCTIONAL THEORY; DRUG SCREENING; DRUG TARGETING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

COMPUTER-AIDED DESIGN; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; DRUG SCREENING ASSAYS, ANTITUMOR; ENZYME INHIBITORS; FARNESYLTRANSTRANSFERASE; MOLECULAR DYNAMICS SIMULATION; NEOPLASMS; PROTEIN STRUCTURE, SECONDARY;

EID: 75049083127     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.11.011     Document Type: Article

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