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Molecular Docking and Molecular Dynamics Simulations of the Kinase Domain Inhibitor for an Epidermal Growth Factor Receptor

  • Choi, Youngjin (BioChip Research Center & Inflammatory Disease Research Center, Hoseo University) ;
  • Kang, In-Cheol (BioChip Research Center & Inflammatory Disease Research Center, Hoseo University) ;
  • Cho, Eunae (Department of Bioscience and Biotechnology, Bio/Molecular Informatics Center & Center for Biotechnology Research in UBITA, Institute for Smart Biotechnology (ISB), Konkuk University) ;
  • Kim, Jaebum (Department of Animal Biotechnology, Center for Biotechnology Research in UBITA, Konkuk University) ;
  • Jeong, Karpjoo (Department of Advanced Technology Fusion, Center for Biotechnology Research in UBITA, Konkuk University) ;
  • Jung, Seunho (Department of Bioscience and Biotechnology, Bio/Molecular Informatics Center & Center for Biotechnology Research in UBITA, Institute for Smart Biotechnology (ISB), Konkuk University)
  • 투고 : 2013.04.29
  • 심사 : 2013.05.20
  • 발행 : 2013.08.20

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참고문헌

  1. Rusconi, P.; Caiola, E.; Broggini, M. Curr. Med. Chem. 2012, 19, 1164. https://doi.org/10.2174/092986712799320510
  2. Yu-Jing, Y. J.; Zhang, C. M.; Liu, Z. P. Anticancer Agents Med. Chem. 2012, 12, 391. https://doi.org/10.2174/187152012800228652
  3. Mavromoustakos, T.; Durdagi, S.; Koukoulitsa, C.; Simcic, M.; Papadopoulos, M.G.; Hodoscek, M.; Grdadolnik, S. G. Curr. Med. Chem. 2011, 18, 2517. https://doi.org/10.2174/092986711795933731
  4. Kalyaanamoorthy, S.; Chen, Y. P. Drug Discov. Today 2011, 16, 831. https://doi.org/10.1016/j.drudis.2011.07.006
  5. Cui, Y. J. Pharm. Sci. 2011, 100, 2000. https://doi.org/10.1002/jps.22392
  6. Tetko, I. V.; Bruneau, P.; Mewes, H. W.; Rohrer, D. C.; Poda, G. I. Drug Discov. Today 2006, 11, 700. https://doi.org/10.1016/j.drudis.2006.06.013
  7. Tarcsay, A.; Keseru, G. M. Expert Opin. Drug Metab. Toxicol. 2011, 7, 299. https://doi.org/10.1517/17425255.2011.553599
  8. Speck-Planche, A.; Luan, F.; Cordeiro, M. N. Curr. Med. Chem. 2012, 19, 1635. https://doi.org/10.2174/092986712799945058
  9. Tari, L. W. Methods Mol. Biol. 2012, 841, 1. https://doi.org/10.1007/978-1-61779-520-6_1
  10. Blume-Jensen, P.; Hunter, T. Nature 2001, 411, 355. https://doi.org/10.1038/35077225
  11. Johnson, L. N.; Lewis, R. J. Chem. Rev. 2001, 101, 2209. https://doi.org/10.1021/cr000225s
  12. Hunter, T. Cell 1995, 80, 225. https://doi.org/10.1016/0092-8674(95)90405-0
  13. Mazola, Y.; Rodriguez, R. Biotechnol. Aplic. 2008, 25, 7.
  14. Sachsenmaier, C. Onkologie 2001, 24, 346. https://doi.org/10.1159/000055106
  15. Besant, P. G.; Tan, E.; Attwood, P. V. Int. J. Biochem. Cell Biol. 2003, 35, 297. https://doi.org/10.1016/S1357-2725(02)00257-1
  16. Manning, G.; Whyte, D. B. Science 2002, 298, 1912. https://doi.org/10.1126/science.1075762
  17. Mitsudomi, T.; Yayabe, Y. FEBS J. 2010, 277, 301. https://doi.org/10.1111/j.1742-4658.2009.07448.x
  18. Hirsch, F. R.; Dziadziuszko, R.; Varella-Garcia, M.; Franklin, W. A.; Bunn, P. A. J. Thor. Oncol. 2008, 3, S138. https://doi.org/10.1097/JTO.0b013e318174e922
  19. Takeuchi, K.; Ito, F. FEBS J. 2010, 277, 316. https://doi.org/10.1111/j.1742-4658.2009.07450.x
  20. Jackman, D. M.; Miller, V. A.; Cioffredi, L. A.; Yeap, B. Y.; Jänne, P. A.; Riely, G. J.; Ruiz, M. G.; Giaccone, G.; Sequist, L. V.; Johnson, B. E. Clin. Cancer Res. 2009, 15, 5267. https://doi.org/10.1158/1078-0432.CCR-09-0888
  21. Pearson, M. K.; Fabbro, D. Expert Rev. Anticancer Ther. 2004, 4, 1113. https://doi.org/10.1586/14737140.4.6.1113
  22. Kim, E. Y.; Choi, Y.; Park, C. W.; Kang, I. C. Biochem. Biophys. Res. Comm. 2009, 389, 415. https://doi.org/10.1016/j.bbrc.2009.08.141
  23. Alonso, H.; Bliznyuk, A. A.; Gready, J. E. Med. Res. Rev. 2006, 26, 531. https://doi.org/10.1002/med.20067
  24. Sakkiah, S.; Thangapandian, S.; Kim, Y.; Lee, K. W. Bull. Korean Chem. Soc. 2012, 33, 869. https://doi.org/10.5012/bkcs.2012.33.3.869
  25. Gazit, A.; Yaish, P.; Gilon, C.; Levitzki, A. J. Med. Chem. 1989, 32, 2344. https://doi.org/10.1021/jm00130a020
  26. Levitzki, A. FASEB J. 1992, 6, 3275.
  27. Jo, M.; Thomas, K. S.; O'Donnell, D. M.; Gonias, S. L. J. Biol. Chem. 2003, 278, 1642. https://doi.org/10.1074/jbc.M210877200
  28. Morris, G. M.; Huey, R.; Lindstrom, W.; Sanner, M. F.; Belew, R. K.; Goodsell, D. S.; Olson, A. J. J. Comput. Chem. 2009, 30, 2785. https://doi.org/10.1002/jcc.21256
  29. Stamos, J.; Sliwkowski, M. X.; Eigenbrot, C. J. Biol. Chem. 2002, 277, 46265. https://doi.org/10.1074/jbc.M207135200
  30. Johnson, L. N.; Noble, M. E. M.; Owen, D. J. Cell 1996, 85, 149. https://doi.org/10.1016/S0092-8674(00)81092-2
  31. Wood, E. R.; Truesdale, A. T.; McDonald, O. B.; Yuan, D.; Hassell, A. Cancer Res. 2004, 64, 6652. https://doi.org/10.1158/0008-5472.CAN-04-1168
  32. Li, J.; Ma, C.; Huang, Y.; Luo, J.; Huang, C. Oncogene 2003, 22, 211. https://doi.org/10.1038/sj.onc.1206102
  33. Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. J. Comput. Chem. 1998, 19, 1639. https://doi.org/10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B
  34. Cosconati, S.; Forli, S.; Perryman, A. L.; Harris, R.; Goodsell, D. S.; Olson, A. J. Expert. Opin. Drug Discov. 2010, 5, 597. https://doi.org/10.1517/17460441.2010.484460
  35. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187. https://doi.org/10.1002/jcc.540040211
  36. Jorgensen, W. L. J. Chem. Phys. 1983, 79, 926. https://doi.org/10.1063/1.445869
  37. Ryckaert, J. P.; Ciccotti, G.; Berendsen, H. J. C. J. Comput. Phys. 1977, 23, 327. https://doi.org/10.1016/0021-9991(77)90098-5
  38. Darden, T.; York, D.; Pedersen, L. J. Chem. Phys. 1993, 98, 10089. https://doi.org/10.1063/1.464397
  39. Feller, S. E.; Zhang, Y.; Pastor, R. W.; Brooks, B. R. J. Chem. Phys. 1995, 103, 4613. https://doi.org/10.1063/1.470648