Molecular models of protein kinase 6 from Plasmodium falciparum

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...

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Bibliographic Details
Published in:Journal of molecular modeling 2005-12, Vol.12 (1), p.42-48
Main Authors: Manhani, Karisa Karla, Arcuri, Helen Andrade, da Silveira, Nelson José Freitas, Uchôa, Hugo Brandão, de Azevedo, Jr, Walter Filgueira, Canduri, Fernanda
Format: Article
Language:English
Subjects:
Amino Acid Sequence
Animals
Binding Sites
Conserved Sequence
Cyclin-Dependent Kinases - chemistry
Cyclin-Dependent Kinases - metabolism
Hydrogen Bonding
Kinetin - chemistry
Kinetin - pharmacology
Mitogen-Activated Protein Kinases - chemistry
Mitogen-Activated Protein Kinases - metabolism
Models, Molecular
Molecular Sequence Data
Plasmodium falciparum
Plasmodium falciparum - enzymology
Protein Kinase Inhibitors - chemistry
Protein Kinase Inhibitors - pharmacology
Protein Structure, Tertiary
Protozoan Proteins - chemistry
Protozoan Proteins - metabolism
Purines - chemistry
Purines - pharmacology
Sequence Alignment
Static Electricity
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Summary: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.
ISSN:1610-2940
0948-5023
DOI:10.1007/s00894-005-0002-1