Combined in silico and experimental approach for drug design: The binding mode of peptidic and non-peptidic inhibitors to Hsp90 N-terminal domain

Chemical Biology and Drug Design

Volumn 76, Issue 5, 2010, Pages 382-391

  Tomaselli, Simona ^a   Meli, Massimiliano ^b   Plescia, Janet ^c   Zetta, Lucia ^a   Altieri, Dario C ^c   Colombo, Giorgio ^b   Ragona, Laura ^a  

^a CNR   (Italy)

^b CNR   (Italy)

^c UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL   (United States)

Author keywords

Antitumor agents; Drug design; Hsp90; Molecular dynamics; NMR

Indexed keywords

5 AMINOIMIDAZOLE 4 CARBOXAMIDE 1 BETA DEXTRO RIBOFURANOSIDE; GELDANAMYCIN; HEAT SHOCK PROTEIN 90; IMIDAZOLE DERIVATIVE; PROTEIN INHIBITOR; PROTON; RADICICOL; SHEPHERDIN; UNCLASSIFIED DRUG;

AMINO TERMINAL SEQUENCE; APOPTOSIS; ARTICLE; BINDING SITE; CANCER CELL CULTURE; CELL PROLIFERATION; COMPUTER MODEL; CONFORMATION; DRUG DESIGN; DRUG STRUCTURE; HUMAN; MOLECULAR DYNAMICS; MOLECULE; PRIORITY JOURNAL; PROTEIN DOMAIN; RECEPTOR BINDING; SIMULATION; TUMOR CELL;

AMINOIMIDAZOLE CARBOXAMIDE; BINDING SITES; CELL LINE, TUMOR; DRUG DESIGN; HSP90 HEAT-SHOCK PROTEINS; HUMANS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; RIBONUCLEOTIDES;

EID: 78651112702     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2010.01015.x     Document Type: Article

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