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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Bibliographic Details
Published in:Journal of computer-aided molecular design 2000-07, Vol.14 (5), p.403-409
Main Authors: Furet, P, Zimmermann, J, Capraro, H G, Meyer, T, Imbach, P
Format: Article
Language:English
Subjects:
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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Description
Summary: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