title: Molecular models of protein kinase 6 from Plasmodium falciparum.
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.
authors.affiliation: Departamento de Física, Universidade Estadual Paulista, UNESP, Rua Cristovão Colombo, 2265, 15054-000 São José do Rio Preto, São Paulo, Brasil.
authors.forename: Karisa Karla
authors.initials: KK
authors.lastname: Manhani
authors.forename: Helen Andrade
authors.initials: HA
authors.lastname: Arcuri
authors.forename: Nelson José Freitas
authors.initials: NJ
authors.lastname: da Silveira
authors.forename: Hugo Brandão
authors.initials: HB
authors.lastname: Uchôa
authors.forename: Walter Filgueira
authors.initials: WF
authors.lastname: de Azevedo
authors.forename: Fernanda
authors.initials: F
authors.lastname: Canduri
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D001665:Binding Sites; D017124:Conserved Sequence; D018844:Cyclin-Dependent Kinases / Q000737:chemistry* / Q000378:metabolism*; D006860:Hydrogen Bonding; D007701:Kinetin / Q000737:chemistry / Q000494:pharmacology; D020928:Mitogen-Activated Protein Kinases / Q000737:chemistry* / Q000378:metabolism*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010963:Plasmodium falciparum / Q000201:enzymology*; D047428:Protein Kinase Inhibitors / Q000737:chemistry / Q000494:pharmacology; D017434:Protein Structure, Tertiary; D015800:Protozoan Proteins / Q000737:chemistry* / Q000378:metabolism*; D011687:Purines / Q000737:chemistry / Q000494:pharmacology; D000077546:Roscovitine; D016415:Sequence Alignment; D055672:Static Electricity
chemical_list: D047428:Protein Kinase Inhibitors; D015800:Protozoan Proteins; D011687:Purines; D000077546:Roscovitine; C090046:olomoucine; C408698:PK6 protein, Plasmodium falciparum; D018844:Cyclin-Dependent Kinases; D020928:Mitogen-Activated Protein Kinases; D007701:Kinetin