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Volumn 78, Issue 4, 2011, Pages 651-658

Study on the Anticancer Activity of Coumarin Derivatives by Molecular Modeling

Author keywords

Anticancer activity; CoMFA; CoMSIA; Coumarin; Docking; Protein kinase 2

Indexed keywords

CASEIN KINASE II; COUMARIN DERIVATIVE; HYDROXYL GROUP; LYSINE; LYSINE 68; UNCLASSIFIED DRUG; WATER;

EID: 80052609836     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01195.x     Document Type: Article
Times cited : (88)

References (26)
  • 1
    • 0037334895 scopus 로고    scopus 로고
    • One-thousand-and-one substrates of protein kinase CK2
    • Meggio F., Pinna L. (2003) One-thousand-and-one substrates of protein kinase CK2. FASEB J;17:349-368.
    • (2003) FASEB J , vol.17 , pp. 349-368
    • Meggio, F.1    Pinna, L.2
  • 2
    • 0037269847 scopus 로고    scopus 로고
    • Protein kinase CK2: structure, regulation and role in cellular decisions of life and death
    • Litchfield D. (2003) Protein kinase CK2: structure, regulation and role in cellular decisions of life and death. Biochem J;369:1-15.
    • (2003) Biochem J , vol.369 , pp. 1-15
    • Litchfield, D.1
  • 4
    • 84988115618 scopus 로고
    • Validation of the general purpose Tripos 5.2 force field
    • Clark M., Cramer R. III, Van Opdenbosch N. (1989) Validation of the general purpose Tripos 5.2 force field. J Comput Chem;10:982-1012.
    • (1989) J Comput Chem , vol.10 , pp. 982-1012
    • Clark, M.1    Cramer III, R.2    Van Opdenbosch, N.3
  • 7
    • 39749107915 scopus 로고    scopus 로고
    • Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: An integrate approach to elucidate the putative binding motif and explain structurëCactivity relationships
    • Chilin A., Battistutta R., Bortolato A., Cozza G., Zanatta S., Poletto G. et al. (2008) Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: An integrate approach to elucidate the putative binding motif and explain structurëCactivity relationships. J Med Chem;51:752-759.
    • (2008) J Med Chem , vol.51 , pp. 752-759
    • Chilin, A.1    Battistutta, R.2    Bortolato, A.3    Cozza, G.4    Zanatta, S.5    Poletto, G.6
  • 8
    • 6944237046 scopus 로고    scopus 로고
    • Studies on coumarins and coumarin-related compounds to determine their therapeutic role in the treatment of cancer
    • Lacy A., O'Kennedy R. (2004) Studies on coumarins and coumarin-related compounds to determine their therapeutic role in the treatment of cancer. Curr Pharm Des;10:3797-3811.
    • (2004) Curr Pharm Des , vol.10 , pp. 3797-3811
    • Lacy, A.1    O'Kennedy, R.2
  • 9
    • 72049117631 scopus 로고    scopus 로고
    • Docking and 3D-QSAR studies of 7-hydroxycoumarin derivatives as CK2 inhibitors
    • Zhang N., Zhong R. (2010) Docking and 3D-QSAR studies of 7-hydroxycoumarin derivatives as CK2 inhibitors. Eur J Med Chem;45:292-297.
    • (2010) Eur J Med Chem , vol.45 , pp. 292-297
    • Zhang, N.1    Zhong, R.2
  • 10
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • Richard D. III, David E., Jeffrey D. (1988) Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J Am Chem Soc;110:5959-5967.
    • (1988) J Am Chem Soc , vol.110 , pp. 5959-5967
    • Richard III, D.1    David, E.2    Jeffrey, D.3
  • 11
    • 0027944195 scopus 로고
    • Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
    • Klebe G., Abraham U., Mietzner T. (1994) Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J Med Chem;37:4130-4146.
    • (1994) J Med Chem , vol.37 , pp. 4130-4146
    • Klebe, G.1    Abraham, U.2    Mietzner, T.3
  • 12
    • 34047092770 scopus 로고    scopus 로고
    • 3D-QSAR study of hallucinogenic phenylalkylamines by using CoMFA approach
    • Zhang Z., An L., Hu W., Xiang Y. (2007) 3D-QSAR study of hallucinogenic phenylalkylamines by using CoMFA approach. J Comput Aided Mol Des;21:145-153.
    • (2007) J Comput Aided Mol Des , vol.21 , pp. 145-153
    • Zhang, Z.1    An, L.2    Hu, W.3    Xiang, Y.4
  • 13
    • 0141680852 scopus 로고    scopus 로고
    • Structure-activity relationships of the antimalarial agent artemisinin. 8. design, synthesis, and CoMFA studies toward the development of artemisinin-based drugs against leishmaniasis and malaria
    • Avery M., Muraleedharan K., Desai P., Bandyopadhyaya A., Furtado M., Tekwani B. (2003) Structure-activity relationships of the antimalarial agent artemisinin. 8. design, synthesis, and CoMFA studies toward the development of artemisinin-based drugs against leishmaniasis and malaria. J Med Chem;46:4244-4258.
    • (2003) J Med Chem , vol.46 , pp. 4244-4258
    • Avery, M.1    Muraleedharan, K.2    Desai, P.3    Bandyopadhyaya, A.4    Furtado, M.5    Tekwani, B.6
  • 15
    • 49149147973 scopus 로고
    • Iterative partial equalization of orbital electronegativity - a rapid access to atomic charges
    • Gasteiger J., Marsili M. (1980) Iterative partial equalization of orbital electronegativity - a rapid access to atomic charges. Tetrahedron;36:3219-3228.
    • (1980) Tetrahedron , vol.36 , pp. 3219-3228
    • Gasteiger, J.1    Marsili, M.2
  • 16
    • 0037920567 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa
    • Bohm M., Sturzebecher J., Klebe G. (1999) Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa. J Med Chem;42:458-477.
    • (1999) J Med Chem , vol.42 , pp. 458-477
    • Bohm, M.1    Sturzebecher, J.2    Klebe, G.3
  • 18
    • 85164278893 scopus 로고
    • Partial least squares analysis with cross-validation for the two-class problem: a Monte Carlo study
    • Ståhle L., Wold S. (1987) Partial least squares analysis with cross-validation for the two-class problem: a Monte Carlo study. J Chemometr;1:185-196.
    • (1987) J Chemometr , vol.1 , pp. 185-196
    • Ståhle, L.1    Wold, S.2
  • 19
    • 0001681052 scopus 로고
    • The collinearity problem in linear regression. The partial least squares (PLS) approach to generalized inverses
    • Wold S., Ruhe A., Wold H., Dunn W. III (1984) The collinearity problem in linear regression. The partial least squares (PLS) approach to generalized inverses. SIAM J Sci Stat Comput;5:735-743.
    • (1984) SIAM J Sci Stat Comput , vol.5 , pp. 735-743
    • Wold, S.1    Ruhe, A.2    Wold, H.3    Dunn III, W.4
  • 20
    • 84987100711 scopus 로고
    • Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies
    • Cramer R. III, Bunce J., Patterson D., Frank I. (1988) Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies. QSAR;7:18-25.
    • (1988) QSAR , vol.7 , pp. 18-25
    • Cramer III, R.1    Bunce, J.2    Patterson, D.3    Frank, I.4
  • 21
    • 84951601886 scopus 로고
    • Cross-validatory estimation of the number of components in factor and principal components models
    • Wold S. (1978) Cross-validatory estimation of the number of components in factor and principal components models. Technometrics;20:397-405.
    • (1978) Technometrics , vol.20 , pp. 397-405
    • Wold, S.1
  • 22
    • 11644261806 scopus 로고    scopus 로고
    • Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
    • Morris G., Goodsell D., Halliday R., Huey R., Hart W., Belew R. et al. (1998) Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J Comput Chem;19:1639-1662.
    • (1998) J Comput Chem , vol.19 , pp. 1639-1662
    • Morris, G.1    Goodsell, D.2    Halliday, R.3    Huey, R.4    Hart, W.5    Belew, R.6
  • 24
    • 0037449720 scopus 로고    scopus 로고
    • Inhibition of protein kinase CK2 by anthraquinone-related compounds
    • De Moliner E., Moro S., Sarno S., Zagotto G., Zanotti G., Pinna L. et al. (2003) Inhibition of protein kinase CK2 by anthraquinone-related compounds. J Biol Chem;278:1831-1836.
    • (2003) J Biol Chem , vol.278 , pp. 1831-1836
    • De Moliner, E.1    Moro, S.2    Sarno, S.3    Zagotto, G.4    Zanotti, G.5    Pinna, L.6
  • 25
    • 56449125983 scopus 로고    scopus 로고
    • The design, synthesis, and evaluation of coumarin ring derivatives of the novobiocin scaffold that exhibit antiproliferative activity
    • Donnelly A., Mays J., Burlison J., Nelson J., Vielhauer G., Holzbeierlein J. et al. (2008) The design, synthesis, and evaluation of coumarin ring derivatives of the novobiocin scaffold that exhibit antiproliferative activity. J Org Chem;73:8901-8920.
    • (2008) J Org Chem , vol.73 , pp. 8901-8920
    • Donnelly, A.1    Mays, J.2    Burlison, J.3    Nelson, J.4    Vielhauer, G.5    Holzbeierlein, J.6
  • 26
    • 41849084518 scopus 로고    scopus 로고
    • Development of novobiocin analogues that manifest anti-proliferative activity against several cancer cell lines
    • Burlison J., Avila C., Vielhauer G., Lubbers D., Holzbeierlein J., Blagg B. (2008) Development of novobiocin analogues that manifest anti-proliferative activity against several cancer cell lines. J Org Chem;73:2130-2137.
    • (2008) J Org Chem , vol.73 , pp. 2130-2137
    • Burlison, J.1    Avila, C.2    Vielhauer, G.3    Lubbers, D.4    Holzbeierlein, J.5    Blagg, B.6


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