Woodard Cassandra L, Li Zhiyu, Kathcart April K, Terrell James, Gerena Lucia, Lopez-Sanchez Miriam, Kyle Dennis E, Bhattacharjee Apurba K, Nichols Daniel A, Ellis William, Prigge Sean T, Geyer Jeanne A, Waters Norman C
Division of Experimental Therapeutics, Walter Reed Army Institute of Research, Silver Spring, Maryland 20910, USA.
J Med Chem. 2003 Aug 28;46(18):3877-82. doi: 10.1021/jm0300983.
Cyclin dependent protein kinases (CDKs) have become attractive drug targets in an effort to identify effective inhibitors of the parasite Plasmodium falciparum, the causative agent of the most severe form of human malaria. We tested known CDK inhibitors for their ability to inhibit two malarial CDKs: Pfmrk and PfPK5. Many broad spectrum CDK inhibitors failed to inhibit Pfmrk suggesting that the active site differs from other CDKs in important ways. By screening compounds in the Walter Reed chemical database, we identified oxindole-based compounds as effective inhibitors of Pfmrk (IC(50) = 1.5 microM). These compounds have low cross-reactivity against PfPK5 and human CDK1 demonstrating selectivity for Pfmrk. Amino acid comparison of the active sites of Pfmrk and PfPK5 identified unique amino acid differences that may explain this selectivity and be exploited for further drug development efforts.
细胞周期蛋白依赖性蛋白激酶(CDKs)已成为颇具吸引力的药物靶点,旨在寻找恶性疟原虫(导致人类最严重疟疾形式的病原体)的有效抑制剂。我们测试了已知的CDK抑制剂抑制两种疟疾CDK(Pfmrk和PfPK5)的能力。许多广谱CDK抑制剂未能抑制Pfmrk,这表明其活性位点在重要方面与其他CDK不同。通过在沃尔特·里德化学数据库中筛选化合物,我们确定基于氧化吲哚的化合物是Pfmrk的有效抑制剂(半数抑制浓度(IC50)= 1.5微摩尔)。这些化合物对PfPK5和人类CDK1的交叉反应性较低,表明对Pfmrk具有选择性。Pfmrk和PfPK5活性位点的氨基酸比较确定了独特的氨基酸差异,这可能解释了这种选择性,并可用于进一步的药物开发工作。