Pyrimidine‐based pyrazoles as cyclin‐dependent kinase 2 inhibitors: Design, synthesis, and biological evaluation,Chemical Biology & Drug Design

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Pyrimidine‐based pyrazoles as cyclin‐dependent kinase 2 inhibitors: Design, synthesis, and biological evaluation
Chemical Biology & Drug Design ( IF 3.2 ) Pub Date : 2018-06-19 , DOI: 10.1111/cbdd.13334
Mayur K. Vekariya ₁ , Rajesh H. Vekariya ₁ , Pathik S. Brahmkshatriya ₂ , Nisha K. Shah ₁

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A series of new pyrimidine‐pyrazole hybrid molecules were designed as inhibitors of cyclin‐dependent kinase 2. Designed compounds were docked using Glide and the compounds showing good score values and encouraging interactions with the residues were selected for synthesis. They were then evaluated using CDK2‐CyclinA2 enzyme inhibition by a luminescent ADP detection assay. We show that of the 26 compounds synthesized and evaluated, at least 5 compounds were found to be highly potent (IC₅₀ < 20 nm); which can be further optimized to have selectivity over other kinase isoforms.

中文翻译：

基于嘧啶的吡唑类药物作为细胞周期蛋白依赖性激酶2抑制剂：设计，合成和生物学评估

设计了一系列新的嘧啶-吡唑杂合分子作为细胞周期蛋白依赖性激酶2的抑制剂。使用Glide对接设计的化合物，并选择显示出良好评分值并鼓励与残基相互作用的化合物进行合成。然后通过发光ADP检测测定法对CDK2-CyclinA2酶的抑制作用进行评估。我们显示，在合成和评估的26种化合物中，至少有5种化合物具有很强的效力（IC ₅₀ <20 n m）；可以进一步优化使其对其他激酶同工型具有选择性。

更新日期：2018-06-19

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