Docking and 3D-QSAR studies of 7-hydroxycoumarin derivatives as CK2 inhibitors

European Journal of Medicinal Chemistry

Volumn 45, Issue 1, 2010, Pages 292-297

  Zhang, Na ^a   Zhong, Rugang ^a  

^a BEIJING UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

3D QSAR; CK2 ; DBC derivative; Docking

Indexed keywords

3,8 DIBROMO 7 HYDROXY 4 METHYLCHROMEN 2 ONE; PROTEIN KINASE C; PROTEIN KINASE CK2ALPHA; UMBELLIFERONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

CASEIN KINASE II; CHROMONES; DRUG DESIGN; EMODIN; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; UMBELLIFERONES;

EID: 72049117631     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.10.011     Document Type: Article

References (32)

1. Litchfield D.W. Biochem. J. 369 (2003) 1-15
2. Duncan J.S., and Lithcfield D.W. Biochim. Biophys. Acta 1784 (2008) 33-47
3. Meggio F., and Pinna L.A. FASEB J. 17 (2003) 349-368
4. Bibby A.C., and Litchfield D.W. Int. J. Biol. Sci. 1 (2005) 67-79
5. Pinna L.A. J. Cell Sci. 115 (2002) 3873-3878
6. Ahmad K.A., Wang G., Slaton J., Unger G., and Ahmed K. Anticancer Drugs 16 (2005) 1037-1043
7. Unger G.M., Davis A.T., Slaton J.W., and Ahmed K. Curr. Cancer Drug Targets 4 (2004) 77-84
8. Mazzorana M., Pinna L.A., and Battistutta R. Mol. Cell. Biochem. 316 (2008) 57-62
9. Prudent R., and Cochet C. Chem. Biol. 16 (2009) 112-120
10. Niefind K., Putter M., Guerra B., Issinger O.G., and Schomburg D. Nat. Struct. Biol. 6 (1999) 1100-1103
11. Lacy R., and O'Kennedy A. Curr. Pharm. Des. 10 (2004) 3797-3811
12. Meggio F., Pagano M.A., Moro S., Zagotto G., Ruzzene M., Sarno S., Cozza G., Bain J., Elliott M., Donella Deana A., Brunati A.M., and Pinna L.A. Biochemistry 43 (2004) 12931-12936
13. Kostova I. Curr. Med. Chem. Anticancer Agents 5 (2005) 29-46
14. Borges F., Roleira F., Milhazes N., Santana L., and Uriarte E. Curr. Med. Chem. 12 (2005) 887-916
15. Chilin A., Battistutta R., Bortolato A., Cozza G., Zanatta S., Poletto G., Mazzorana M., Zagotto G., Uriarte E., Guiotto A., Pinna L.A., Meggio F., and Moro S. J. Med. Chem. 51 (2008) 752-759
16. Cramer R.D., Patterson D.E., and Bunce J.D. J. Am. Chem. Soc. 110 (1988) 5959-5967
17. Klebe G., Abraham U., and Mietzner T. J. Med. Chem. 37 (1994) 4130-4146
18. Zhang N., Yong Y.J., Zou J.W., Zhang B., Jin H.X., Wang Y.H., and Yu Q.S. Eur. J. Med. Chem. 41 (2006) 373-378
19. Teixeira C., Serradji N., Maurel F., and Barbault F. Eur. J. Med. Chem. 44 (2009) 3524-3532
20. Raaf J., Klopffleisch K., Issinger O.G., and Niefind K. J. Mol. Biol. 377 (2008) 1-7
21. Sarno S., Moro S., Meggio F., Zagotto G., Dal Ben D., Ghisellini P., Battistutta R., Zanotti G., and Pinna L.A. Pharmacol Ther 93 (2002) 159-168
22. Sekiguchi Y., Nakaniwa T., Kinoshita T., Nakanishi I., Kitaura K., Hirasawa A., Tsujimoto G., and Tada T. Bioorg. Med. Chem. Lett. 19 (2009) 2920-2923
23. Sarno S., Ruzzene M., Frascella P., Pagano M.A., Meggio F., Zambon A., Mazzorana M., Di Maira G., Lucchini V., and Pinna L.A. Mol. Cell. Biochem. 274 (2005) 69-76
24. Golub A.G., Yakovenko O.Y., Bdzhola V.G., Sapelkin V.M., Zien P., and Yarmoluk S.M. J. Med. Chem. 49 (2006) 6443-6450
25. Prudent R., Lopez-Ramos M., Moucadel V., Grierson C., Mouawad L., Florent J.C., Lafanechere L., Schmidt F., and Cochet C. Biochim. Biophys. Acta 1780 (2008) 1412-1420
26. Battistutta R., Mazzorana M., Cendron L., Bortolato A., Sarno S., Kazimierczuk Z., Zanotti G., Moro S., and Pinna L.A. Chembiochem 8 (2007) 1804-1809
27. De Moliner E., Brown N.R., and Johnson L.N. Eur. J. Biochem. 270 (2003) 3174-3181
28. Morshed M.N., Muddassar M., Pasha F.A., and Cho S.J. Chem. Biol. Drug Des 74 (2009) 148-158
29. BiomedCache version 6.0; Beaverton, Fujitsu America Inc; 2003.
30. Sybyl version 6.9, St. Tripos Associates Inc, Louis (MO); 2001.
31. Rarey M., Kramer B., Lengauer T., and Klebe G. J. Mol. Biol. 261 (1996) 470-489
32. Staahle L., and Wold S. J. Chemom. 1 (1987) 185-196