摘要
背景：细胞周期蛋白依赖激酶2（CDK2）因其在细胞周期进程中的作用而被研究。通过晶体学和功能学的协同研究，阐明了CDK2的结构为研究抑制这种酶的分子基础奠定了基础。 目的：我们的目标是回顾最近的功能和结构研究，以了解CDK2在癌症和衰老中的作用。 方法：CDK2的晶体结构有四百多个，其中许多具有结合亲和力信息。我们利用这些丰富的数据分析了抑制CDK2的基本特征及其在癌症和衰老中的作用。 结果：CDK2的结构和亲和力数据使我们能够清楚地了解参与分子识别的重要CDK2残基。对配体结合的结构基础进行详细的描述，对CDK2抑制剂的设计具有重要意义。我们的分析显示了LEU83和ASP 86残基对结合亲和力的相关性。最近的发现揭示了CDK2抑制在衰老中的参与，为探索以细胞衰老为目标的CDK2抑制剂的发展新时代的结构和亲和力数据的丰富性提供了可能。 结论：我们结合抑制剂分析了CDK2的结构信息，并绘制了最强的CDK2抑制剂的分子结构和配体结合亲和力数据。从这个分析中，我们确定了重要的分子间相互作用负责结合亲和力。这一知识可指导针对癌症和细胞衰老的CDK2抑制剂的未来发展。
关键词: CDK2，细胞周期蛋白，细胞衰老，蛋白-配体相互作用，药物设计，癌症。
图形摘要
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