Structure-based design of potent CDK1 inhibitors derived from olomoucine

Cyclin-dependent kinase 1 (CDK1), an enzyme participating in the regulation of the cell cycle, constitutes a possible target in the search for new antitumor agents. Starting from the purine derivative olomoucine and following a structure-based approach, potent inhibitors of this enzyme were rapidly...

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Veröffentlicht in:	Journal of computer-aided molecular design 2000-07, Vol.14 (5), p.403-409
Hauptverfasser:	Furet, P, Zimmermann, J, Capraro, H G, Meyer, T, Imbach, P
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acid Sequence Binding Sites CDC2 Protein Kinase - antagonists & inhibitors CDC2 Protein Kinase - chemistry CDC2 Protein Kinase - genetics CDC2-CDC28 Kinases Cell cycle Computer-Aided Design Cyclin-Dependent Kinase 2 Cyclin-dependent kinases Cyclin-Dependent Kinases - antagonists & inhibitors Cyclin-Dependent Kinases - chemistry Cyclin-Dependent Kinases - genetics Drug Design Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Humans Kinases Kinetin Models, Molecular Molecular Sequence Data Protein Conformation Protein-Serine-Threonine Kinases - antagonists & inhibitors Protein-Serine-Threonine Kinases - chemistry Protein-Serine-Threonine Kinases - genetics Proteins Purines - chemistry Purines - pharmacology Sequence Homology, Amino Acid
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Beschreibung
Zusammenfassung:	Cyclin-dependent kinase 1 (CDK1), an enzyme participating in the regulation of the cell cycle, constitutes a possible target in the search for new antitumor agents. Starting from the purine derivative olomoucine and following a structure-based approach, potent inhibitors of this enzyme were rapidly identified. The molecular modeling aspects of this work are described.
ISSN:	0920-654X 1573-4951
DOI:	10.1023/A:1008115004986