Ligand Based Pharmacophore Identification and Molecular Docking Studies for Grb2 Inhibitors
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Arulalapperumal, Venkatesh
(Department of Biochemistry and Division of Applied Life Science (BK21), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of National Science (RINS), Gyeongsang National University (GNU))
Sakkiah, Sugunadevi (Department of Biochemistry and Division of Applied Life Science (BK21), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of National Science (RINS), Gyeongsang National University (GNU)) Thangapandian, Sundarapandian (Department of Biochemistry and Division of Applied Life Science (BK21), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of National Science (RINS), Gyeongsang National University (GNU)) Lee, Yun-O (Department of Biochemistry and Division of Applied Life Science (BK21), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of National Science (RINS), Gyeongsang National University (GNU)) Meganathan, Chandrasekaran (Department of Biochemistry and Division of Applied Life Science (BK21), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of National Science (RINS), Gyeongsang National University (GNU)) Hwang, Swan (Department of Biochemistry and Division of Applied Life Science (BK21), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of National Science (RINS), Gyeongsang National University (GNU)) Lee, Keun-Woo (Department of Biochemistry and Division of Applied Life Science (BK21), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of National Science (RINS), Gyeongsang National University (GNU)) |
1 | Rester, U. Curr. Opin. Drug Discov. Devel. 2008, 11, 559. |
2 | Terstappen, G. C.; Reggiani, A. Trends Pharm. Sci. 2001, 22, 0165. |
3 | Lee, Y.; Bharatham, N.; Bharatham, K.; Lee, K. W. Bull. Korean. Chem. Soc. 2007, 28, 561. DOI |
4 | Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Adv. Drug Del. Rev. 2001, 46, 3. DOI ScienceOn |
5 | Lengauer, T.; Rarey, M. Curr. Opin. Struct. Biol. 1996, 6, 402. DOI ScienceOn |
6 | Helen, M. B.; John, W. B.; Zukang, P.; Gary, G.; Bhat, T. N.; Helge, W.; Shindyalov, L. N.; Bourne, P. E. Nucl. Acid Res. 2000, 28, 235. DOI ScienceOn |
7 | Jain, A. N. J. Comput. Aid. Mol. Des. 1996, 10, 427. DOI ScienceOn |
8 | Bohm, H. J. J. Comput. Aid. Mol. Des. 1994, 8, 243. DOI ScienceOn |
9 | Bohm, H. J. J Comput. Aid. Mol. Des. 1998, 12, 309. DOI ScienceOn |
10 | Schoepfer, J.; Fretz, H.; Gay, B.; Furet, P.; Echeverria, C.G.; End, N. G. Bioorg. Med. Chem. Lett. 1999, 9, 221. DOI ScienceOn |
11 | Sugunadevi, S.; Navaneethakrishnan, K.; Poornima, G.; Sundarapandian, T.; Yuno, L.; Songmi, K.; Suh, J. K.; Kim, H. H.; Lee, K. W. Bull. Korean. Chem. Soc. 2009, 30, 1152. DOI |
12 | Shalini, J.; Sundarapandian, T.; Sugunadevi, S.; Lee, K. W. Euro. J. Med. Chem. 2010, 45, 4004. DOI ScienceOn |
13 | Kitchen, D. B.; Decorner, H.; Furr, J. R.; Bajorath, J. Nature. Rev. Drug Disco. 2004, 3, 935. DOI ScienceOn |
14 | Totrov, M.; Ababyan, R. Curr. Opin. Struct. 2008, 18, 178. DOI ScienceOn |
15 | Venkatachalam, C. M.; Jiang, X.; Oldfield, T.; Waldman, M. J. Mol. Graph. Model. 2003, 21, 289. DOI ScienceOn |
16 | Lakshmi, S.; Cao, T.; King, C. R. Int. J. Cancer 1997, 70, 208. DOI ScienceOn |
17 | Clark, S. G.; Stern, M. J.; Horvitz, H. R. Nature 1992, 352, 340. |
18 | Giubellino, A.; Yang, G.; Lee, S.; Lee, M. J.; Vasselli, J. R.; Medepalli, S.; Trepel, J. B.; Burke, T. R., Jr.; Bottaro, D. P. Cancer Res. 2007, 67, 6012. DOI ScienceOn |
19 | Li, N.; Batzer, A.; Daly, R.; Yajnik, V.; Skolnik, E.; Chardin, P.; Sagi, D. B.; Margolis, B.; Schlessinger, J. Nature 1993, 363, 85. DOI ScienceOn |
20 | Lipinski, C. A. J. Pharmacol. Toxicol. Methods 2000, 44, 235. DOI ScienceOn |
21 | Buday, L.; Downward, J. Cell 1993, 73, 611. DOI ScienceOn |
22 | Ridely, A. J.; Hall, A. Cell 1992, 70, 389. DOI ScienceOn |
23 | Ridely, A. J.; Peterson, H. F.; Johnston, C. L.; Diekmann, D.; Hall, A. Cell 1992, 70, 401. DOI ScienceOn |
24 | Skolnik, E. Y.; Lee, C. H.; Batzar, A.; Vicentini, L. M.; Zhou, M.; Daly, R.; Myers, M. J., Jr.; Backer, J. M.; Ullrich, A.; White, M. F.; Schlessinger, J. Embo. J. 1993, 12, 1929. |
25 | Phan, J.; Shi, Z. D.; Waugh, D. S. J. Mol. Biol. 2005, 353, 104. DOI ScienceOn |
26 | Moeller, S. J.; Head, E. D.; Sheaff, R. J. Mol. Cellul. Biol. 2003, 23, 3735. DOI ScienceOn |
27 | Chen, C. H.; Chen, M. K.; Jeng, K. C. G.; Lung, F. D. T. Pro. Pep. Lett. 2010, 17, 44. DOI ScienceOn |
28 | Furet, P.; Garcia, E. C.; Gay, B.; Schoepfer, J.; Zeller, M.; Rahuel, J. J. Med. Chem. 1999, 42, 2358. DOI ScienceOn |
29 | ACD/Labs.com Software. http://www.acdlabs.com/home/ |
30 | Catalyst, Version 4.10. Accelrys Inc. San Diego, CA, USA, 2005. |
31 | Song, Y. L.; Peach, M. L.; Roller, P. P.; Qiu, S.; Wang, S.; Long, Y. Q. J. Med. Chem. 2006, 49, 1585. DOI ScienceOn |
32 | Takemoto, Y.; Furuta, M.; Sato, M.; Findell, P. R.; Ramble, W.; Hashimoto, Y. J. Immunol. 1998, 161, 625. |
33 | Sundarapandian, T.; Shalini, J.; Sugunadevi, S.; Lee, K. W. J. Chem. Inf. Model. 2011, 51, 33. DOI ScienceOn |
34 | Sugunadevi, S.; Sundarapandian, T.; Shalini, J.; Yong, J. K.; Lee, K. W. Euro. J. Med. Chem. 2010, 45, 2132. DOI ScienceOn |
35 | Jones, D. A.; Benjamin, C. W. Arch. Biochem. Biophy. 1997, 337, 143. DOI ScienceOn |
36 | Giubellino, A.; Burke, T. R., Jr.; Bottaro, D. P. Expert. Opin. Ther. Targets. 2008, 12, 1021. DOI ScienceOn |
37 | Lowenstein, E. J.; Daly, R. J.; Batzer, A. G.; Li, W.; Margolis, B.; Lammers, R.; Ullrich, A.; Skolnik, E. Y.; Sagi, D. B.; Schlessinger, J. Cell 1992, 70, 431. DOI ScienceOn |
38 | Feng, G. S.; Ouyang, Y. B.; Hu, D. P.; Shi, Z. Q.; Gentz, R.; Ni, J. J. Biol. Chem. 1996, 27, 12129. |
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