Molecular models of protein kinase 6 from Plasmodium falciparum

J Mol Model. 2005 Dec;12(1):42-8. doi: 10.1007/s00894-005-0002-1. Epub 2005 Nov 4.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • 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 / enzymology*
  • Protein Kinase Inhibitors / chemistry
  • Protein Kinase Inhibitors / pharmacology
  • Protein Structure, Tertiary
  • Protozoan Proteins / chemistry*
  • Protozoan Proteins / metabolism*
  • Purines / chemistry
  • Purines / pharmacology
  • Roscovitine
  • Sequence Alignment
  • Static Electricity

Substances

  • Protein Kinase Inhibitors
  • Protozoan Proteins
  • Purines
  • Roscovitine
  • olomoucine
  • PK6 protein, Plasmodium falciparum
  • Cyclin-Dependent Kinases
  • Mitogen-Activated Protein Kinases
  • Kinetin