-
1
-
-
18044387648
-
Raf kinase as a target for anticancer therapeutics
-
Sridhar, S. S.; Hedley, D.; Siu, L. L. Raf kinase as a target for anticancer therapeutics. Mol. Cancer Ther. 2005, 4, 677-685.
-
(2005)
Mol. Cancer Ther
, vol.4
, pp. 677-685
-
-
Sridhar, S.S.1
Hedley, D.2
Siu, L.L.3
-
2
-
-
5444227865
-
Guilty as charged: B-RAF is a human oncogene
-
Garnett, M. J.; Marais, R. Guilty as charged: B-RAF is a human oncogene. Cancer Cell 2004, 6, 313-319.
-
(2004)
Cancer Cell
, vol.6
, pp. 313-319
-
-
Garnett, M.J.1
Marais, R.2
-
3
-
-
12144289677
-
Mechanism of activation of the RAF-ERK signaling pathway by oncogenic mutations of B-RAF
-
Wan, P. T.; Garnett, M. J.; Roe, S. M.; Lee, S.; Niculescu-Duvaz, D.; Good, V. M.; Jones, C. M.; Marshall, C. J.; Springer, C. J.; Barford, D.; Marais, R. Mechanism of activation of the RAF-ERK signaling pathway by oncogenic mutations of B-RAF. Cell 2004, 116, 855-867.
-
(2004)
Cell
, vol.116
, pp. 855-867
-
-
Wan, P.T.1
Garnett, M.J.2
Roe, S.M.3
Lee, S.4
Niculescu-Duvaz, D.5
Good, V.M.6
Jones, C.M.7
Marshall, C.J.8
Springer, C.J.9
Barford, D.10
Marais, R.11
-
4
-
-
4644259265
-
Kinase inhibition with BAY 43-9006 in renal cell carcinoma
-
Ahmad, T.; Eisen, T. Kinase inhibition with BAY 43-9006 in renal cell carcinoma. Clin. Cancer Res. 2004, 10, 6388S-6392S.
-
(2004)
Clin. Cancer Res
, vol.10
-
-
Ahmad, T.1
Eisen, T.2
-
5
-
-
0038792292
-
Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking
-
Vangrevelinghe, E.; Zimmermann, K.; Schoepfer, J.; Portmann, R.; Fabbro, D.; Furet, P. Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking. J. Med. Chem. 2003, 46, 2656-2662.
-
(2003)
J. Med. Chem
, vol.46
, pp. 2656-2662
-
-
Vangrevelinghe, E.1
Zimmermann, K.2
Schoepfer, J.3
Portmann, R.4
Fabbro, D.5
Furet, P.6
-
6
-
-
34250658084
-
Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity
-
Siddiquee, K.; Zhang, S.; Guida, W. C.; Blaskovich, M. A.; Greedy, B.; Lawrence, H. R.; Yip, M. L. R.; Jove, R.; McLaughlin, M. M.; Lawrence, N. J.; Sebti, S. M.; Turkson, J. Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 7391-7396.
-
(2007)
Proc. Natl. Acad. Sci. U.S.A
, vol.104
, pp. 7391-7396
-
-
Siddiquee, K.1
Zhang, S.2
Guida, W.C.3
Blaskovich, M.A.4
Greedy, B.5
Lawrence, H.R.6
Yip, M.L.R.7
Jove, R.8
McLaughlin, M.M.9
Lawrence, N.J.10
Sebti, S.M.11
Turkson, J.12
-
7
-
-
33845730781
-
-
King, A. J.; Patrick, D. R.; Batorsky, R. S.; Ho, M. L.; Do, H. T.; Zhang, S. Y.; Kumar, R.; Rusnak, D. W.; Takle, A. K.; Wilson, D. M.; Hugger, E.; Wang, L.; Karreth, F.; Lougheed, J. C.; Lee, J.; Chau, D.; Stout, T. J.; May, E. W.; Rominger, C. M.; Schaber, M. D.; Luo, L.; Lakdawala, A. S.; Adams, J. L.; Contractor, R. G.; Smalley, K. S.; Herlyn, M.; Morrissey, M. M.; Tuveson, D. A.; Huang, P. S. Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885. Cancer Res. 2006, 66, 11100-11105.
-
King, A. J.; Patrick, D. R.; Batorsky, R. S.; Ho, M. L.; Do, H. T.; Zhang, S. Y.; Kumar, R.; Rusnak, D. W.; Takle, A. K.; Wilson, D. M.; Hugger, E.; Wang, L.; Karreth, F.; Lougheed, J. C.; Lee, J.; Chau, D.; Stout, T. J.; May, E. W.; Rominger, C. M.; Schaber, M. D.; Luo, L.; Lakdawala, A. S.; Adams, J. L.; Contractor, R. G.; Smalley, K. S.; Herlyn, M.; Morrissey, M. M.; Tuveson, D. A.; Huang, P. S. Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885. Cancer Res. 2006, 66, 11100-11105.
-
-
-
-
8
-
-
0001016942
-
Structure-based molecular design
-
Kuntz, I. D.; Meng, E. C.; Shoichet, B. K. Structure-based molecular design. Acc. Chem. Res. 1994, 27, 117-123.
-
(1994)
Acc. Chem. Res
, vol.27
, pp. 117-123
-
-
Kuntz, I.D.1
Meng, E.C.2
Shoichet, B.K.3
-
9
-
-
0037763817
-
Comparative evaluation of 11 scoring functions for molecular docking
-
Wang, R.; Lu, Y.; Wang, S. Comparative evaluation of 11 scoring functions for molecular docking. J. Med. Chem. 2003, 46, 2287-2303.
-
(2003)
J. Med. Chem
, vol.46
, pp. 2287-2303
-
-
Wang, R.1
Lu, Y.2
Wang, S.3
-
10
-
-
0038174853
-
Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening
-
Zavodszky, M. I.; Sanschagrin, P. C.; Korde, R. S.; Kuhn, L. A. Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening. J. Comput. Aided Mol. Des. 2002, 16, 883-902.
-
(2002)
J. Comput. Aided Mol. Des
, vol.16
, pp. 883-902
-
-
Zavodszky, M.I.1
Sanschagrin, P.C.2
Korde, R.S.3
Kuhn, L.A.4
-
11
-
-
0032190489
-
Screening a peptidyl database for potential ligands to proteins with side-chain flexibility
-
Schnecke, V.; Swanson, C. A.; Getzoff, E. D.; Tainer, J. A.; Kuhn, L. A. Screening a peptidyl database for potential ligands to proteins with side-chain flexibility. Proteins 1998, 33, 74-87.
-
(1998)
Proteins
, vol.33
, pp. 74-87
-
-
Schnecke, V.1
Swanson, C.A.2
Getzoff, E.D.3
Tainer, J.A.4
Kuhn, L.A.5
-
12
-
-
0029705324
-
Automated docking of flexible ligands: Applications of AutoDock
-
Goodsell, D. S.; Morris, G. M.; Olson, A. J. Automated docking of flexible ligands: applications of AutoDock. J. Mol. Recognit. 1996, 1-5.
-
(1996)
J. Mol. Recognit
, pp. 1-5
-
-
Goodsell, D.S.1
Morris, G.M.2
Olson, A.J.3
-
13
-
-
4944249117
-
-
Wilhelm, S. M.; Carter, C.; Tang, L.; Wilkie, D.; McNabola, A.; Rong, H.; Chen, C.; Zhang, X.; Vincent, P.; McHugh, M.; Cao, Y.; Shujath, J.; Gawlak, S.; Eveleigh, D.; Rowley, B.; Liu, L.; Adnane, L.; Lynch, M.; Auclair, D.; Taylor, I.; Gedrich, R.; Voznesensky, A.; Riedl, B.; Post, L. E.; Bollag, G.; Trail, P. A. BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004, 64, 7099-7109.
-
Wilhelm, S. M.; Carter, C.; Tang, L.; Wilkie, D.; McNabola, A.; Rong, H.; Chen, C.; Zhang, X.; Vincent, P.; McHugh, M.; Cao, Y.; Shujath, J.; Gawlak, S.; Eveleigh, D.; Rowley, B.; Liu, L.; Adnane, L.; Lynch, M.; Auclair, D.; Taylor, I.; Gedrich, R.; Voznesensky, A.; Riedl, B.; Post, L. E.; Bollag, G.; Trail, P. A. BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004, 64, 7099-7109.
-
-
-
-
14
-
-
42949149240
-
-
Tsai, J.; Lee, J. T.; Wang, W.; Zhang, J.; Cho, H.; Mamo, S.; Bremer, R.; Gillette, S.; Kong, J.; Haass, N. K.; Sproesser, K.; Li, L.; Smalley, K. S.; Fong, D.; Zhu, Y. L.; Marimuthu, A.; Nguyen, H.; Lam, B.; Liu, J.; Cheung, I.; Rice, J.; Suzuki, Y.; Luu, C.; Settachatgul, C.; Shellooe, R.; Cantwell, J.; Kim, S. H.; Schlessinger, J.; Zhang, K. Y.; West, B. L.; Powell, B.; Habets, G.; Zhang, C.; Ibrahim, P. N.; Hirth, P.; Artis, D. R.; Herlyn, M.; Bollag, G. Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 3041-3046.
-
Tsai, J.; Lee, J. T.; Wang, W.; Zhang, J.; Cho, H.; Mamo, S.; Bremer, R.; Gillette, S.; Kong, J.; Haass, N. K.; Sproesser, K.; Li, L.; Smalley, K. S.; Fong, D.; Zhu, Y. L.; Marimuthu, A.; Nguyen, H.; Lam, B.; Liu, J.; Cheung, I.; Rice, J.; Suzuki, Y.; Luu, C.; Settachatgul, C.; Shellooe, R.; Cantwell, J.; Kim, S. H.; Schlessinger, J.; Zhang, K. Y.; West, B. L.; Powell, B.; Habets, G.; Zhang, C.; Ibrahim, P. N.; Hirth, P.; Artis, D. R.; Herlyn, M.; Bollag, G. Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 3041-3046.
-
-
-
-
15
-
-
13844312649
-
ZINC: A free database of commercially available compounds for virtual screening
-
Irwin, J. J.; Shoichet, B. K. ZINC: a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model. 2005, 45, 177-182.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
16
-
-
53549119862
-
-
Morris, G. M, Goodsell, D. S, Huey, R, Hart, W. E, Halliday, R. S, Belew, R. K, Olson, A. J, AutoDock, version 3.0.3; The Scripps Research Institute, Molecular Graphics Laboratory, Department of Molecular Biology: La Jolla, CA, 1999
-
Morris, G. M.; Goodsell, D. S.; Huey, R.; Hart, W. E.; Halliday, R. S.; Belew, R. K.; Olson, A. J., AutoDock, version 3.0.3; The Scripps Research Institute, Molecular Graphics Laboratory, Department of Molecular Biology: La Jolla, CA, 1999.
-
-
-
-
17
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and and empirical binding free energy function
-
Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. Automated docking using a Lamarckian genetic algorithm and and empirical binding free energy function. J. Comput. Chem. 1999, 19, 1639-1662.
-
(1999)
J. Comput. Chem
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
18
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity: A rapid access to atomic charges
-
Gasteiger, J.; Marsili, M. Iterative partial equalization of orbital electronegativity: a rapid access to atomic charges. Tetrahedron 1980, 36, 3219-3228.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3228
-
-
Gasteiger, J.1
Marsili, M.2
|