通过对基于配体的虚拟筛选方法获得的先导化合物的结构优化,设计、合成了一系列苯甲酰肼衍生物,通过1HNMR、13CNMR和MS确定了化合物结构。生物活性测试表明,该系列化合物对RSK2激酶有中等程度的抑制作用。初步揭示了抑制RSK2活性的构效关系,并通过模建的RSK2氮端三维结构揭示了该系列化合物抑制RSK2的作用机制。 A series of benzoylhydrazide derivatives were designed and synthesized by optimizing the structure of lead compounds obtained by ligand-based virtual screening. The structures of compounds were confirmed by 1HNMR, 13CNMR and MS. Biological activity tests show that this series of compounds have a moderate degree of inhibition of RSK2 kinase. The structure-activity relationship of inhibiting the activity of RSK2 was initially revealed, and the mechanism of inhibiting the action of RSK2 by the series of compounds was revealed through modeling the three-dimensional structure of the RSK2 nitrogen end.