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Furet P, Zimmermann J, Capraro HG, Meyer T, Imbach P: Structure-based design of potent CDK1 inhibitors derived from olomoucine. J Comput Aided Mol Des. 2000 Jul;14(5):403-9. 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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