Manhani Karisa Karla, Arcuri Helen Andrade, da Silveira Nelson José Freitas, Uchôa Hugo Brandão, de Azevedo Walter Filgueira, Canduri Fernanda
Departamento de Física, Universidade Estadual Paulista, UNESP, Rua Cristovão Colombo, 2265, 15054-000 São José do Rio Preto, São Paulo, Brasil.
J Mol Model. 2005 Dec;12(1):42-8. doi: 10.1007/s00894-005-0002-1. Epub 2005 Nov 4.
Cyclin-dependent kinases (CDKs) have been identified as potential targets for development of drugs, mainly against cancer. These studies generated a vast library of chemical inhibitors of CDKs, and some of these molecules can also inhibit kinases identified in the Plasmodium falciparum genome. Here we describe structural models for Protein Kinase 6 from P. falciparum (PfPK6) complexed with Roscovitine and Olomoucine. These models show clear structural evidence for differences observed in the inhibition, and may help designing inhibitors for PfPK6 generating new potential drugs against malaria.
细胞周期蛋白依赖性激酶(CDKs)已被确定为主要针对癌症的药物开发潜在靶点。这些研究产生了大量CDK化学抑制剂文库,其中一些分子还可以抑制恶性疟原虫基因组中鉴定出的激酶。在这里,我们描述了恶性疟原虫蛋白激酶6(PfPK6)与Roscovitine和Olomoucine复合的结构模型。这些模型为观察到的抑制差异提供了明确的结构证据,并可能有助于设计PfPK6抑制剂,从而产生针对疟疾的新潜在药物。