Characterization of the CHK1 allosteric inhibitor binding site

Biochemistry

Volumn 48, Issue 41, 2009, Pages 9823-9830

  Vanderpool, Darin ^a   Johnson, Ted O ^a   Ping, Chen ^a   Bergqvist, Simon ^a   Alton, Gordon ^a   Phonephaly, Soneprasith ^a   Rui, Eugene ^a   Luo, Chun ^a   Deng, Ya Li ^a   Grant, Stephan ^a   Quenzer, Terri ^a   Margosiak, Steve ^a   Register, James ^a   Brown, Ed ^a   Ermolieff, Jacques ^a  

^a PFIZER INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOSTERIC INHIBITOR; ALLOSTERIC SITE; BIOPHYSICAL DATA; C-TERMINAL DOMAINS; CHEMOTHERAPEUTIC AGENTS; COCRYSTAL STRUCTURE; DNA DAMAGE RESPONSE; HYDROPHOBIC POCKETS; INDUCED FIT; KEY ELEMENTS; KINETIC ANALYSIS; KINETIC CHARACTERIZATION; MIXED INHIBITOR; PEPTIDE SUBSTRATES; SMALL MOLECULE INHIBITOR; SMALL MOLECULES; THERAPEUTIC STRATEGY; TUMOR CELLS;

AMINES; BINDING ENERGY; DNA; GENES; NUCLEIC ACIDS;

BINDING SITES;

ADENOSINE TRIPHOSPHATE; CHECKPOINT KINASE 1;

ALLOSTERISM; ARTICLE; BINDING SITE; CARBOXY TERMINAL SEQUENCE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ENZYME INHIBITION; ENZYME KINETICS; ENZYME SUBSTRATE; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN EXPRESSION;

ALLOSTERIC REGULATION; BINDING SITES; CATALYTIC DOMAIN; CLONING, MOLECULAR; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; HUMANS; KINETICS; MODELS, MOLECULAR; PEPTIDE FRAGMENTS; PROTEIN CONFORMATION; PROTEIN KINASES; SURFACE PLASMON RESONANCE;

EID: 70350074904     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi900258v     Document Type: Article

References (19)

1. Chen, Y., and Poon, Y. C. R. (2008) The multiple checkpoint functions of CHK1 and CHK2 in maintenance of genome stability. Front. Biosci., 5016-5029.
2. Bucher, N., and Britten, C. D. (2008) G2 checkpoint abrogation and checkpoint kinase-1 targeting in the treatment of cancer. Br. J. Cancer 98, 523-528. (Pubitemid 351214533)
3. Ashwell, S., and Zabludoff, S. (2008) DNA damage detection and repair pathways: Recent advances with inhibitors of checkpoint kinases in cancer therapy. Clin. Cancer Res. 14, 4032-4037.
4. Ashwell, S., Janetka, W. J., and Zabludoff, S. (2008) Keeping checkpoint kinases in line: New selective inhibitors in clinical trials. Expert Opin. Invest. Drugs 17, 1331-1340.
5. Blasina, A., Hallin, J., Chen, E., Arango, M. E., Kraynov, E., Register, J., Grant, S., Ninkovic, S., Chen, P., Nichols, T., O'Connor, P., and Anderes, K. (2008) Breaching the DNA damage checkpoint via PF-00477736, a novel small-molecule inhibitor of checkpoint kinase 1. Mol. Cancer Ther. 8, 2394-2404.
6. Kiselyov, A., Balakin, K. V., Tkachenko, S. E., and Savchuk, N. P. (2006) Recent progress in development of non-ATP competitive small-molecules inhibitors of protein kinases. Mini-Rev. Med. Chem. 6, 711-717.
7. Pargellis, C., Tong, L., Churchill, L., Cirillo, P. F., Gilmore, T., Graham, A. G., Grob, P. M., Hickey, E. R., Moss, N., Pav, S., and Regan, J. (2002) Inhibition of P38 MAP kinase by utilizing a novel allosteric binding site. Nat. Struct. Biol. 9, 268-272.
8. Lindsley, C. W., Barnett, S. F., Layton, M. E., and Bilodeau, M. T. (2008) The PI3K/Akt pathway: Recent progress in the development of ATP-competitive and allosteric Akt kinase inhibitors. Current Cancer Drug Target 8, 7-18.
9. Patent WO 2005/148643.
10. Patent WO 2004/063198.
11. GraphPad Prism, version 5.01, GraphPad Software Inc., San Diego.
12. Morrison, J. F. (1969) Kinetics of the reversible inhibition of enzyme-catalysed reactions by tight-binding inhibitors. Biochim. Biophys. Acta 185, 269-286.
13. Chen, P.; et al. (2000) The 1.7 Å crystal structure of human cell cycle checkpoint kinase CHK1: Implications for CHK1 regulation. Cell 100, 681-692.
14. Rich, R., Hoth, R. L., Geoghegan, F. K., Brown, A. T., LeMotte, K. P., Simons, P. S., Hensley, P., and Myszka, G. D. (2002) Kinetic analysis of estrogen receptor/ligand interactions. Proc. Natl. Acad. Sci. U.S.A. 99, 8562-8567.
15. Navtratilova, I.; et al. (2007) Thermodynamic benchmark study using Biacore technology, 2007. Anal. Biochem. 364, 67-77.
16. Hendlich, M., Rippmann, F., and Barnickel, G. (1997) LIGSITE: Automatic and efficient detection of potential small molecule-binding sites in proteins. J. Mol. Graphics Modell. 15, 359-363.
17. Verdonk, M. L., Cole, J. C., and Taylor, R. (1999) SuperStar: A knowledge-based approach for identifying interaction sites in proteins. J. Mol. Biol. 289, 1093-1108.
18. Lieser, A. S., Aubol, E. B., Wong, L., Jennings, A. P., and Adams, A. J. (2005) Coupling phosphoryl transfer and substrate interactions in protein kinases. Biochim. Biophys. Acta 1754, 191-199.
19. Converso, A.; et al. (2009) Development of thioquinazolinones, allosteric Chk1 kinase inhibitors. Bioorg. Med. Chem. Lett. 19, 1240-1244.