Rational design of inhibitors that bind to inactive kinase conformations (original) (raw)

• Manning, G., Whyte, D.B., Martinez, R., Hunter, T. & Sudarsanam, S. The protein kinase complement of the human genome. Science 298, 1912–1934 (2002).
  Article CAS PubMed Google Scholar
• Hunter, T. The role of tyrosine phosphorylation in cell growth and disease. Harvey Lect. 94, 81–119 (1998).
  PubMed Google Scholar
• Cohen, P. Protein kinases—the major drug targets of the twenty-first century? Nat. Rev. Drug Discov. 1, 309–315 (2002).
  Article CAS PubMed Google Scholar
• Mol, C.D., Fabbro, D. & Hosfield, D.J. Structural insights into the conformational selectivity of STI-571 and related kinase inhibitors. Curr. Opin. Drug Discov. Devel. 7, 639–648 (2004).
  CAS PubMed Google Scholar
• Schindler, T. et al. Structural mechanism for STI-571 inhibition of abelson tyrosine kinase. Science 289, 1938–1942 (2000).
  Article CAS PubMed Google Scholar
• Pargellis, C. et al. Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site. Nat. Struct. Biol. 9, 268–272 (2002).
  Article CAS PubMed Google Scholar
• Wan, P.T. et al. Mechanism of activation of the RAF-ERK signaling pathway by oncogenic mutations of B-RAF. Cell 116, 855–867 (2004).
  Article CAS PubMed Google Scholar
• Manley, P.W. et al. Advances in the structural biology, design and clinical development of VEGF-R kinase inhibitors for the treatment of angiogenesis. Biochim. Biophys. Acta 1697, 17–27 (2004).
  Article CAS PubMed Google Scholar
• Gill, A.L. et al. Identification of novel p38α MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem. 48, 414–426 (2005).
  Article CAS PubMed Google Scholar
• Cumming, J.G. et al. Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase. Bioorg. Med. Chem. Lett. 14, 5389–5394 (2004).
  Article CAS PubMed Google Scholar
• Heron, N.M. et al. SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors. Bioorg. Med. Chem. Lett. 16, 1320–1323 (2006).
  Article CAS PubMed Google Scholar
• Traxler, P. & Furet, P. Strategies toward the design of novel and selective protein tyrosine kinase inhibitors. Pharmacol. Ther. 82, 195–206 (1999).
  Article CAS PubMed Google Scholar
• Jung, F.H. et al. Discovery of novel and potent thiazoloquinazolines as selective Aurora A and B kinase inhibitors. J. Med. Chem. 49, 955–970 (2006).
  Article CAS PubMed Google Scholar
• Dai, Y. et al. Thienopyrimidine ureas as novel and potent multitargeted receptor tyrosine kinase inhibitors. J. Med. Chem. 48, 6066–6083 (2005).
  Article CAS PubMed Google Scholar
• Gray, N.S. et al. Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science 281, 533–538 (1998).
  Article CAS PubMed Google Scholar
• Liu, Y. et al. Structural basis for selective inhibition of Src family kinases by PP1. Chem. Biol. 6, 671–678 (1999).
  Article CAS PubMed Google Scholar
• Wang, Z. et al. Structural basis of inhibitor selectivity in MAP kinases. Structure 6, 1117–1128 (1998).
  Article CAS PubMed Google Scholar
• Wilson, K.P. et al. The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase. Chem. Biol. 4, 423–431 (1997).
  Article CAS PubMed Google Scholar
• Hubbard, S.R., Wei, L., Ellis, L. & Hendrickson, W.A. Crystal structure of the tyrosine kinase domain of the human insulin receptor. Nature 372, 746–754 (1994).
  Article CAS PubMed Google Scholar
• Nagar, B. et al. Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571). Cancer Res. 62, 4236–4243 (2002).
  CAS PubMed Google Scholar
• Manley, P.W. et al. Imatinib: a selective tyrosine kinase inhibitor. Eur. J. Cancer 38 (suppl. 5), S19–S27 (2002).
  Article PubMed Google Scholar
• Regan, J. et al. Pyrazole urea-based inhibitors of p38 MAP kinase: from lead compound to clinical candidate. J. Med. Chem. 45, 2994–3008 (2002).
  Article CAS PubMed Google Scholar
• Lowinger, T.B., Riedl, B., Dumas, J. & Smith, R.A. Design and discovery of small molecules targeting raf-1 kinase. Curr. Pharm. Des. 8, 2269–2278 (2002).
  Article CAS PubMed Google Scholar
• Atwell, S. et al. A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase. J. Biol. Chem. 279, 55827–55832 (2004).
  Article CAS PubMed Google Scholar
• Wood, E.R. et al. A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res. 64, 6652–6659 (2004).
  Article CAS PubMed Google Scholar
• Shewchuk, L. et al. Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase. J. Med. Chem. 43, 133–138 (2000).
  Article CAS PubMed Google Scholar
• Adams, J.L., Kasparec, J., Silva, D. & Yuan, C.C.K. Preparation of pyrazolo[3,4-d]pyrimidine derivatives for treating diseases associated with inappropriate angiogenesis. World patent application WO2003029209 (2003).
• Kubo, K. et al. Novel potent orally active selective VEGFR-2 tyrosine kinase inhibitors: synthesis, structure-activity relationships, and antitumor activities of _N_-phenyl-N'-{4-(4-quinolyloxy)phenyl}ureas. J. Med. Chem. 48, 1359–1366 (2005).
  Article CAS PubMed Google Scholar
• Hoelzemann, G. et al. Preparation of heteroaryl-substituted diarylureas as tyrosine kinase inhibitors. World patent application WO2005019192 (2005).
• Sim, T. et al. Preparation of pyrimidopyrimidines as protein kinase inhibitors. World patent application WO2005011597 (2005).
• Ding, Q. et al. Preparation of [1,6]naphthyridin-3-ones as protein kinase inhibitors. ç patent application WO2005034869 (2005).
• Ren, P., Wang, X., Gray, N.S., Liu, Y. & Sim, T. Preparation of N-[3-(2-amino-7-oxo-7,8-dihydropteridin-6-yl)phenyl] benzamides as protein kinase inhibitors. World patent application WO2006002367 (2006).
• Fabian, M.A. et al. A small molecule–kinase interaction map for clinical kinase inhibitors. Nat. Biotechnol. 23, 329–336 (2005).
  Article CAS PubMed Google Scholar
• Klebl, B.M. & Muller, G. Second-generation kinase inhibitors. Expert Opin. Ther. Targets 9, 975–993 (2005).
  Article CAS PubMed Google Scholar
• Noble, M. et al. Exploiting structural principles to design cyclin-dependent kinase inhibitors. Biochim. Biophys. Acta 1754, 58–64 (2005).
  Article CAS PubMed Google Scholar
• Pratt, D.J., Endicott, J.A. & Noble, M.E. The role of structure in kinase-targeted inhibitor design. Curr. Opin. Drug Discov. Devel. 7, 428–436 (2004).
  CAS PubMed Google Scholar