Structure-based drug design to the discovery of new 2-aminothiazole CDK2 inhibitors

Journal of Molecular Graphics and Modelling

Volumn 24, Issue 5, 2006, Pages 341-348

  Vulpetti, Anna ^a   Casale, Elena ^a   Roletto, Fulvia ^a   Amici, Raffaella ^a   Villa, Manuela ^a   Pevarello, Paolo ^a  

^a NERVIANO MEDICAL SCIENCES   (Italy)

Author keywords

CDK2; Crystal structures; Cyclin dependent kinase; Ligand docking; Ligand protein interactions; Structure based drug design

Indexed keywords

BENZENE; CRYSTAL STRUCTURE; ENZYME INHIBITION; ENZYMES; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; X RAY CRYSTALLOGRAPHY;

CYLIN-DEPENDENT KINASE; LIGAND DOCKING; LIGAND-PROTEIN INTERACTIONS; STRUCTURE-BASED DRUG DESIGN;

DRUG PRODUCTS;

2 BENZYLAMINO 5 BROMO 1,3 THIAZOLE; 4 [(5 ISOPROPYL 1,3 THIAZOL 2 YL)AMINO]BENZENESULFONAMIDE; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 2 INHIBITOR; N (5 BROMO 1,3 THIAZOL 2 YL)BUTANAMIDE; N (5 ISOPROPYL 1,3 THIAZOL 2 YL)PHENYLACETAMIDE; N (5 ISOPROPYL 1,3 THIAZOL 2 YL)PYRID 3 YLACETAMIDE; UNCLASSIFIED DRUG;

ARTICLE; COMPLEX FORMATION; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG POTENCY; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME INHIBITION; HIGH THROUGHPUT SCREENING; IC 50; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

AMINO ACID SEQUENCE; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; ENTROPY; HUMANS; HYDROPHOBICITY; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; PROTEIN CONFORMATION; SEQUENCE HOMOLOGY, AMINO ACID; STRUCTURE-ACTIVITY RELATIONSHIP; X-RAY DIFFRACTION;

EID: 33644615052     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2005.09.012     Document Type: Article

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