Furet P, Zimmermann J, Capraro H G, Meyer T, Imbach P
Novartis Pharma Inc., Oncology Research Department, Basel, Switzerland.
J Comput Aided Mol Des. 2000 Jul;14(5):403-9. doi: 10.1023/a:1008115004986.
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.
细胞周期蛋白依赖性激酶1（CDK1）是一种参与细胞周期调控的酶，是寻找新型抗肿瘤药物的潜在靶点。从嘌呤衍生物olomoucine出发，采用基于结构的方法，迅速鉴定出了该酶的强效抑制剂。本文描述了这项工作的分子建模方面。
