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Volumn 4, Issue 4, 2011, Pages 373-386

Discovering a potent small molecule inhibitor for gankyrin using de novo drug design approach

Author keywords

Apoptosis; Cyclin dependent kinase 4; HCC; Hepatocellular carcinoma; Oncoprotein; Proteasome endopeptidase complex; Retinoblastoma protein; Ubiquitination

Indexed keywords

ANKYRIN; ANTINEOPLASTIC AGENT; GANKYRIN; LIGAND; N [2 [1 (5 DIMETHYLAMINO 2,3 DIHYDROINDOL 1 YL)VINYLAMINO] 1 (4 HYDROXYPHENYL)ETHYL]ACETAMIDE; ONCOPROTEIN; UNCLASSIFIED DRUG;

EID: 84857273255     PISSN: 17560756     EISSN: 17560764     Source Type: Journal    
DOI: 10.1504/IJCBDD.2011.044404     Document Type: Article
Times cited : (50)

References (34)
  • 1
    • 5044234897 scopus 로고    scopus 로고
    • Hepatocellular carcinoma: Role of hepatitis B and hepatitis C viruses proteins in hepatocarcinogenesis
    • DOI 10.1111/j.1365-2893.2004.00521.x
    • Anzola, M. (2004) 'Hepatocellular carcinoma: role of hepatitis B and hepatitis C viruses proteins in hepatocarcinogenesis', J. Viral. Hepat., Vol. 11, No. 5, September, pp.383-393. (Pubitemid 39336219)
    • (2004) Journal of Viral Hepatitis , vol.11 , Issue.5 , pp. 383-393
    • Anzola, M.1
  • 2
    • 7044229778 scopus 로고    scopus 로고
    • Primary liver cancer: Worldwide incidence and trends
    • DOI 10.1053/j.gastro.2004.09.011, PII S0016508504015902
    • Bosch, F.X., Ribes, J., Diaz, M. and Cleries, R. (2004) 'Primary liver cancer: worldwide incidence and trends', Gastroenterology, Vol. 127, No. 5, Suppl. 1, November, pp.S5-S16. (Pubitemid 39423365)
    • (2004) Gastroenterology , vol.127 , Issue.SUPPL.
    • Bosch, F.X.1    Ribes, J.2    Diaz, M.3    Cleries, R.4
  • 3
    • 84984559474 scopus 로고    scopus 로고
    • Sorafenib overcomes TRAIL resistance of hepatocellular carcinoma cells through the inhibition of signal transducers and activators of transcription 3
    • November
    • Chen, K.F., Tai, W.T., Liu, T.H., Huang, H.P., Lin, Y.C., Shiau, C.W., Li, P.K., Chen, P.J. and Cheng, A.L. (2010) 'Sorafenib overcomes TRAIL resistance of hepatocellular carcinoma cells through the inhibition of signal transducers and activators of transcription 3', Clin. Cancer Res., Vol. 16, No. 21, November, pp.5189-5199.
    • (2010) Clin. Cancer Res. , vol.16 , Issue.21 , pp. 5189-5199
    • Chen, K.F.1    Tai, W.T.2    Liu, T.H.3    Huang, H.P.4    Lin, Y.C.5    Shiau, C.W.6    Li, P.K.7    Chen, P.J.8    Cheng, A.L.9
  • 4
    • 0037192842 scopus 로고    scopus 로고
    • Gankyrin is an ankyrin-repeat oncoprotein that interacts with CDK4 kinase and the S6 ATPase of the 26 S proteasome
    • DOI 10.1074/jbc.M107313200
    • Dawson, S., Apcher, S., Mee, M., Higashitsuji, H., Baker, R., Uhle, S., Dubiel, W., Fujita, J. and Mayer, R.J. (2002) 'Gankyrin is an ankyrin-repeat oncoprotein that interacts with CDK4 kinase and the S6 ATPase of the 26 S proteasome', J. Biol. Chem., Vol. 277, No. 13, 29 March, pp.10893-10902. (Pubitemid 34952844)
    • (2002) Journal of Biological Chemistry , vol.277 , Issue.13 , pp. 10893-10902
    • Dawson, S.1    Apcher, S.2    Mee, M.3    Higashitsuji, H.4    Baker, R.5    Uhle, S.6    Dubiel, W.7    Fujita, J.8    John Mayer, R.9
  • 5
    • 0036678085 scopus 로고    scopus 로고
    • Overexpression of p28/gankyrin in human hepatocellular carcinoma and its clinical significance
    • Fu, X.Y., Wang, H.Y., Tan, L., Liu, S.Q., Cao, H.F. and Wu, M.C. (2002) 'Overexpression of p28/gankyrin in human hepatocellular carcinoma and its clinical significance', World J. Gastroenterol., Vol. 8, No. 4, August, pp.638-643. (Pubitemid 34918655)
    • (2002) World Journal of Gastroenterology , vol.8 , Issue.4 , pp. 638-643
    • Fu, X.-Y.1    Wang, H.-Y.2    Tan, L.3    Liu, S.-Q.4    Cao, H.-F.5    Wu, M.-C.6
  • 6
    • 68349117038 scopus 로고    scopus 로고
    • Computational docking of biomolecular complexes with autodock
    • May, pp.pdb prot5200
    • Goodsell, D.S. (2009) 'Computational docking of biomolecular complexes with autodock', Cold Spring Harb. Protoc., Vol. 2009, No. 5, May, pp.pdb prot5200.
    • (2009) Cold Spring Harb. Protoc. , vol.2009 , Issue.5
    • Goodsell, D.S.1
  • 7
    • 0033978257 scopus 로고    scopus 로고
    • Reduced stability of retinoblastoma protein by gankyrin, an oncogenic ankyrin-repeat protein overexpressed in hepatomas
    • DOI 10.1038/71600
    • Higashitsuji, H., Itoh, K., Nagao, T., Dawson, S., Nonoguchi, K., Kido, T., Mayer, R.J., Arii, S. and Fujita, J. (2000) 'Reduced stability of retinoblastoma protein by gankyrin, an oncogenic ankyrin-repeat protein overexpressed in hepatomas', Nat. Med., Vol. 6, No. 1, January, pp.96-99. (Pubitemid 30048534)
    • (2000) Nature Medicine , vol.6 , Issue.1 , pp. 96-99
    • Higashitsuji, H.1    Itoh, K.2    Nagao, T.3    Dawson, S.4    Nonoguchi, K.5    Kido, T.6    Mayer, R.J.7    Arii, S.8    Fujita, J.9
  • 9
    • 33750029942 scopus 로고    scopus 로고
    • LIGSITEcsc: Predicting ligand binding sites using the Connolly surface and degree of conservation
    • Huang, B. and Schroeder, M. (2006) 'LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation', BMC Struct. Biol., Vol. 6, p.19.
    • (2006) BMC Struct. Biol. , vol.6 , pp. 19
    • Huang, B.1    Schroeder, M.2
  • 12
    • 0347093301 scopus 로고    scopus 로고
    • The Crystal Structure of Gankyrin, an Oncoprotein Found in Complexes with Cyclin-dependent Kinase 4, a 19 S Proteasomal ATPase Regulator, and the Tumor Suppressors Rb and p53
    • DOI 10.1074/jbc.M310265200
    • Krzywda, S., Brzozowski, A.M., Higashitsuji, H., Fujita, J., Welchman, R., Dawson, S., Mayer, R.J. and Wilkinson, A.J. (2004) 'The crystal structure of gankyrin, an oncoprotein found in complexes with cyclin-dependent kinase 4, a 19 S proteasomal ATPase regulator, and the tumor suppressors Rb and p53', J. Biol. Chem., Vol. 279, No. 2, 9 January, pp.1541-1545. (Pubitemid 38082684)
    • (2004) Journal of Biological Chemistry , vol.279 , Issue.2 , pp. 1541-1545
    • Krzywda, S.1    Brzozowski, A.M.2    Higashitsuji, H.3    Fujita, J.4    Welchman, R.5    Dawson, S.6    Mayer, R.J.7    Wilkinson, A.J.8
  • 13
    • 0030447531 scopus 로고    scopus 로고
    • Protein clefts in molecular recognition and function
    • Laskowski, R.A., Luscombe, N.M., Swindells, M.B. and Thornton, J.M. (1996) 'Protein clefts in molecular recognition and function', Protein Sci., Vol. 5, No. 12, December, pp.2438-2452. (Pubitemid 26424856)
    • (1996) Protein Science , vol.5 , Issue.12 , pp. 2438-2452
    • Laskowski, R.A.1    Luscombe, N.M.2    Swindells, M.B.3    Thornton, J.M.4
  • 14
    • 2642601106 scopus 로고    scopus 로고
    • Structure of the retinoblastoma tumour-suppressor pocket domain bound to a peptide from HPV E7
    • DOI 10.1038/36038
    • Lee, J.O., Russo, A.A. and Pavletich, N.P. (1998) 'Structure of the retinoblastoma tumour suppressor pocket domain bound to a peptide from HPV E7', Nature, Vol. 391, No. 6670, 26 February, pp.859-865. (Pubitemid 28157656)
    • (1998) Nature , vol.391 , Issue.6670 , pp. 859-865
    • Lee, J.-O.1    Russo, A.A.2    Pavletich, N.P.3
  • 15
    • 0037177225 scopus 로고    scopus 로고
    • Novel insights into the INK4-CDK4/6-Rb pathway: Counter action of gankyrin against INK4 proteins regulates the CDK4-mediated phosphorylation of Rb
    • DOI 10.1021/bi011550s
    • Li, J. and Tsai, M.D. (2002) 'Novel insights into the INK4-CDK4/6-Rb pathway: counter action of gankyrin against INK4 proteins regulates the CDK4-mediated phosphorylation of Rb', Biochemistry, Vol. 41, No. 12, March, pp.3977-3983. (Pubitemid 34251036)
    • (2002) Biochemistry , vol.41 , Issue.12 , pp. 3977-3983
    • Li, J.1    Tsai, M.-D.2
  • 16
    • 5444223697 scopus 로고    scopus 로고
    • Personal experience with four kinds of chemical structure drawing software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch
    • September-October
    • Li, Z., Wan, H., Shi, Y. and Ouyang, P. (2004) 'Personal experience with four kinds of chemical structure drawing software: review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch', J. Chem. Inf. Comput. Sci., Vol. 44, No. 5, September-October, pp.1886-1890.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , Issue.5 , pp. 1886-1890
    • Li, Z.1    Wan, H.2    Shi, Y.3    Ouyang, P.4
  • 17
    • 78651235334 scopus 로고    scopus 로고
    • Computer-aided drug design platform using PyMOL
    • January
    • Lill, M.A. and Danielson, M.L. (2010) 'Computer-aided drug design platform using PyMOL', J. Comput. Aided Mol. Des., Vol. 25, No. 1, January, pp.13-19.
    • (2010) J. Comput. Aided Mol. Des. , vol.25 , Issue.1 , pp. 13-19
    • Lill, M.A.1    Danielson, M.L.2
  • 18
    • 22244471087 scopus 로고    scopus 로고
    • Gankyrin: An intriguing name for a novel regulator of p53 and RB
    • DOI 10.1016/j.ccr.2005.06.014, PII S153561080500200X
    • Lozano, G. and Zambetti, G.P. (2005) 'Gankyrin: an intriguing name for a novel regulator of p53 and RB', Cancer Cell, Vol. 8, No. 1, July, pp.3, 4. (Pubitemid 40991808)
    • (2005) Cancer Cell , vol.8 , Issue.1 , pp. 3-4
    • Lozano, G.1    Zambetti, G.P.2
  • 19
    • 34848827883 scopus 로고    scopus 로고
    • Dissection of Protein-Protein Interaction and CDK4 Inhibition in the Oncogenic versus Tumor Suppressing Functions of Gankyrin and P16
    • DOI 10.1016/j.jmb.2007.08.038, PII S0022283607011102
    • Mahajan, A., Guo, Y., Yuan, C., Weghorst, C.M., Tsai, M.D. and Li, J. (2007) 'Dissection of protein-protein interaction and CDK4 inhibition in the oncogenic versus tumor suppressing functions of gankyrin and P16', J. Mol. Biol., Vol. 373, No. 4, 2 November, pp.990-1005. (Pubitemid 47505248)
    • (2007) Journal of Molecular Biology , vol.373 , Issue.4 , pp. 990-1005
    • Mahajan, A.1    Guo, Y.2    Yuan, C.3    Weghorst, C.M.4    Tsai, M.-D.5    Li, J.6
  • 22
    • 33751264911 scopus 로고    scopus 로고
    • Gankyrin, the 26 S proteasome, the cell cycle and cancer
    • DOI 10.1042/BST0340746
    • Mayer, R.J. and Fujita, J. (2006) 'Gankyrin, the 26 S proteasome, the cell cycle and cancer', Biochem. Soc. Trans., Vol. 34, No. Pt 5, November, pp.746-748. (Pubitemid 44796411)
    • (2006) Biochemical Society Transactions , vol.34 , Issue.5 , pp. 746-748
    • Mayer, R.J.1    Fujita, J.2
  • 23
    • 21644460933 scopus 로고    scopus 로고
    • Docking essential dynamics eigenstructures
    • DOI 10.1002/prot.20569
    • Mustard, D. and Ritchie, D.W. (2005) 'Docking essential dynamics eigenstructures', Proteins, Vol. 60, No. 2, 1 August, pp.269-274. (Pubitemid 40934898)
    • (2005) Proteins: Structure, Function and Genetics , vol.60 , Issue.2 , pp. 269-274
    • Mustard, D.1    Ritchie, D.W.2
  • 24
    • 33846820426 scopus 로고    scopus 로고
    • Structure of the Oncoprotein Gankyrin in Complex with S6 ATPase of the 26S Proteasome
    • DOI 10.1016/j.str.2006.11.015, PII S0969212607000287
    • Nakamura, Y., Nakano, K., Umehara, T., Kimura, M., Hayashizaki, Y., Tanaka, A., Horikoshi, M., Padmanabhan, B. and Yokoyama, S. (2007) 'Structure of the oncoprotein gankyrin in complex with S6 ATPase of the 26S proteasome', Structure, Vol. 15, No. 2, February, pp.179-189. (Pubitemid 46209814)
    • (2007) Structure , vol.15 , Issue.2 , pp. 179-189
    • Nakamura, Y.1    Nakano, K.2    Umehara, T.3    Kimura, M.4    Hayashizaki, Y.5    Tanaka, A.6    Horikoshi, M.7    Padmanabhan, B.8    Yokoyama, S.9
  • 25
    • 41249091782 scopus 로고    scopus 로고
    • Pybel: A Python wrapper for the OpenBabel cheminformatics toolkit
    • O'Boyle, N.M., Morley, C. and Hutchison, G.R. (2008) 'Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit', Chem. Cent. J, Vol. 2, p.5.
    • (2008) Chem. Cent. J , vol.2 , pp. 5
    • O'Boyle, N.M.1    Morley, C.2    Hutchison, G.R.3
  • 26
    • 36849040707 scopus 로고    scopus 로고
    • Gankyrin oncoprotein overexpression as a critical factor for tumor growth in human esophageal squamous cell carcinoma and its clinical significance
    • DOI 10.1002/ijc.23106
    • Ortiz, C.M., Ito, T., Tanaka, E., Tsunoda, S., Nagayama, S., Sakai, Y., Higashitsuji, H., Fujita, J. and Shimada, Y. (2008) 'Gankyrin oncoprotein overexpression as a critical factor for tumor growth in human esophageal squamous cell carcinoma and its clinical significance', Int. J. Cancer, Vol. 122, No. 2, January, pp.325-332. (Pubitemid 350234718)
    • (2008) International Journal of Cancer , vol.122 , Issue.2 , pp. 325-332
    • Ortiz, C.M.1    Ito, T.2    Tanaka, E.3    Tsunoda, S.4    Nagayama, S.5    Sakai, Y.6    Higashitsuji, H.7    Fujita, J.8    Shimada, Y.9
  • 27
    • 0345832060 scopus 로고    scopus 로고
    • Crystal Structure of the Homolog of the Oncoprotein Gankyrin, an Interactor of Rb and CDK4/6
    • DOI 10.1074/jbc.M310266200
    • Padmanabhan, B., Adachi, N., Kataoka, K. and Horikoshi, M. (2004) 'Crystal structure of the homolog of the oncoprotein gankyrin, an interactor of Rb and CDK4/6', J. Biol. Chem., Vol. 279, No. 2, January, pp.1546-1552. (Pubitemid 38082685)
    • (2004) Journal of Biological Chemistry , vol.279 , Issue.2 , pp. 1546-1552
    • Padmanabhan, B.1    Adachi, N.2    Kataoka, K.3    Horikoshi, M.4
  • 28
    • 69049105320 scopus 로고    scopus 로고
    • Toward a mechanical control of drug delivery. On the relationship between Lipinski's 2nd rule and cytosolic pH changes in doxorubicin resistance levels in cancer cells: A comparison to published data
    • September
    • Rauch, C. (2009) 'Toward a mechanical control of drug delivery. On the relationship between Lipinski's 2nd rule and cytosolic pH changes in doxorubicin resistance levels in cancer cells: a comparison to published data', Eur. Biophys. J, Vol. 38, No. 7, September, pp.829-846.
    • (2009) Eur. Biophys. J , vol.38 , Issue.7 , pp. 829-846
    • Rauch, C.1
  • 29
    • 76149120388 scopus 로고    scopus 로고
    • AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
    • 30 January
    • Trott, O. and Olson, A.J. (2010) 'AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading', J. Comput. Chem., Vol. 31, No. 2, 30 January, pp.455-461.
    • (2010) J. Comput. Chem. , vol.31 , Issue.2 , pp. 455-461
    • Trott, O.1    Olson, A.J.2
  • 30
    • 0028922586 scopus 로고
    • LIGPLOT: A program to generate schematic diagrams of protein-ligand interactions
    • February
    • Wallace, A.C., Laskowski, R.A. and Thornton, J.M. (1995) 'LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions', Protein Eng., Vol. 8, No. 2, February, pp.127-134.
    • (1995) Protein Eng. , vol.8 , Issue.2 , pp. 127-134
    • Wallace, A.C.1    Laskowski, R.A.2    Thornton, J.M.3
  • 31
    • 0000217414 scopus 로고    scopus 로고
    • LigBuilder, A multi-purpose program for structure-based drug design
    • 4 October
    • Wang, R., Gao, Y. and Lai, L. (2000) 'LigBuilder, a multi-purpose program for structure-based drug design', J. Mol. Model, Vol. 6, 4 October, pp.498-516.
    • (2000) J. Mol. Model , vol.6 , pp. 498-516
    • Wang, R.1    Gao, Y.2    Lai, L.3
  • 32
    • 0033820007 scopus 로고    scopus 로고
    • Calculating partition coefficient by atom-additive method
    • April
    • Wang, R., Gao, Y. and Lai, L. (2008) 'Calculating partition coefficient by atom-additive method', Perspectives in Drug Discovery and Design, Vol. 19, No. 4, April, pp.47-66.
    • (2008) Perspectives in Drug Discovery and Design , vol.19 , Issue.4 , pp. 47-66
    • Wang, R.1    Gao, Y.2    Lai, L.3
  • 33
    • 10044294023 scopus 로고    scopus 로고
    • An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes
    • November-December
    • Wang, R., Lu, Y., Fang, X. and Wang, S. (2004) 'An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes', J. Chem. Inf. Comput. Sci., Vol. 44, No. 6, November-December, pp.2114-2125.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , Issue.6 , pp. 2114-2125
    • Wang, R.1    Lu, Y.2    Fang, X.3    Wang, S.4
  • 34
    • 4644353678 scopus 로고    scopus 로고
    • Solution structure of the human oncogenic protein gankyrin containing seven ankyrin repeats and analysis of its structure-function relationship
    • DOI 10.1021/bi049116o
    • Yuan, C., Li, J., Mahajan, A., Poi, M.J., Byeon, I.J. and Tsai, M.D. (2004) 'Solution structure of the human oncogenic protein gankyrin containing seven ankyrin repeats and analysis of its structure-function relationship', Biochemistry, Vol. 43, No. 3, September, pp.12152-12161. (Pubitemid 39280559)
    • (2004) Biochemistry , vol.43 , Issue.38 , pp. 12152-12161
    • Yuan, C.1    Li, J.2    Mahajan, A.3    Poi, M.J.4    Byeon, I.-J.L.5    Tsai, M.-D.6


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