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J Mol Model. 2005 Dec;12(1):42-8. Epub 2005 Nov 4.

Molecular models of protein kinase 6 from Plasmodium falciparum.

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Departamento de Física, Universidade Estadual Paulista, UNESP, Rua Cristovão Colombo, 2265, 15054-000 São José do Rio Preto, São Paulo, Brasil.


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.

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