Abstract
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.
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Furet, P., Zimmermann, J., Capraro, HG. et al. Structure-based design of potent CDK1 inhibitors derived from olomoucine. J Comput Aided Mol Des 14, 403–409 (2000). https://doi.org/10.1023/A:1008115004986
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DOI: https://doi.org/10.1023/A:1008115004986