Quantitative structure-activity relationships (QSAR): Studies of inhibitors of tyrosine kinase

European Journal of Pharmaceutical Sciences

Volumn 20, Issue 1, 2003, Pages 63-71

  Shen, Qi ^a   Lü, Qing Zhang ^a,b   Jiang, Jian Hui ^a   Shen, Guo Li ^a   Yu, Ru Qin ^a  

^a HUNAN UNIVERSITY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

Author keywords

1 Phenylbenzimidazoles; Electronic parameters; Modified Cp statistic; Platelet derived growth factor receptor; QSAR

Indexed keywords

ELECTRONS; PRINCIPAL COMPONENT ANALYSIS;

INHIBITORS;

DRUG PRODUCTS;

BENZIMIDAZOLE DERIVATIVE; PLATELET DERIVED GROWTH FACTOR RECEPTOR; PROTEIN TYROSINE KINASE INHIBITOR;

ALGORITHM; ARTICLE; DRUG ACTIVITY; DRUG CLASSIFICATION; DRUG EFFECT; DRUG SCREENING; DRUG STRUCTURE; ELECTROCHEMICAL ANALYSIS; ELECTRON; INHIBITION KINETICS; PARAMETER; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 0042834364     PISSN: 09280987     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0928-0987(03)00170-2     Document Type: Article

References (20)

1. Dolle R.E., Dunn J.A., Bobko M., Singh B., Kuster J.E., Baizman E., Harris A.L., Sawutz S.G., Miller D., Wang S., Faltynek C.R., Xie W., Sarup J., Bode C.E., Pagani E.D., Silver P.J. 5,7-Dimethoxy-3-(4-pyridinyl) quinoline is a potent and selective inhibitor of human vascular β-type platelet-derived growth factor receptor tyrosine kinase. J. Med. Chem. 37:1994;2627-2629.
2. Hall L.H., Kier L.B. The electrotopological state: structure information at the atomic level for molecular graphs. J. Chem. Inf. Comput. Sci. 31:1991;76-78.
3. Hall L.H., Kier L.B. Electrotopological state indices for atom types: a novel combination of electronic, topological, and valence state information. J. Chem. Inf. Comput. Sci. 35:1995;1039-1045.
4. Hasegawa K., Miyashita Y., Funatsu K. GA strategy for variable selection in QSAR studies: GA Based PLS Analysis of calcium channel antagonists. J. Chem. Inf. Comput. Sci. 37:1997;306-310.
5. Kubingi H. Evolutionary variable selection in regression and PLS analysis. J.Chemometrics. 10:1996;119-133.
6. Kurup A., Garg R., Hansch C. Comparative QSAR study of tyrosine kinase inhibitors. Chen. Rev. 101:2001;2573-2600.
7. Luke B.T. Evolutionary Programming Applied to the development of quantitative structure-activity relationships and quantitative structure-property relationships. J. Chem. Inf. Comput. Sci. 34:1994;1279-1287.
8. Maguire M.P., Sheets K.R., McVety K., Spada A.P., Ziberstein A.A. New series of PDGF receptor tyrosine kinase inhibitors: 3-substituted quinoline derivatives. J. Med. Chem. 21:1994;29-2137.
9. 2 QSAR. 1997;Molecular Simulations, San Diego, CA.
10. Naumann T., Matter T. Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes. J. Med. Chem. 45:2002;2366-2378.
11. Nishii R. Asymptotic properties of criteria for selection of variables in multiple regression. Ann. Stat. 12:1984;758-765.
12. lck protein tyrosine kinase. J. Chem. Inf. Comput. Sci. 40:2000;994-1001.
13. Palmer B.D., Kraker A.J., Hartl B.G., Panopoulos A.D., Panek R.L., Batley B.L., Lu G.H., Susanne T.K., Showalter H.D.H., Denny W.A. Structure-activity relationships for 5-substituted phenylbenzimidazoles as Selective ATP site inhibitors of the platelet-derived growth factor receptor. J. Med. Chem. 42:1999;2373-2382.
14. Palmer B.D., Smaill J.B., Boyd M., Boschelli D.H., Doherty A.M., Hamby J.M., Khatana S.S., Kramer J.B., Kraker A.J., Panek R.L., Lu G.H., Dahring T.K., Winters R.T., Showalter H.D.H., Denny W.A. Structure-activity relationships for 1-phenylbenzimidazoles as Selective ATP site inhibitors of the platelet-derived growth factor receptor. J. Med. Chem. 41:1998;5457-5465.
15. Pierre D., Michel L., David S.G. 3D-QSAR CoMFA on cyclin-dependent kinase inhibitors. J. Med. Chem. 43:2000;4098-4108.
16. Rohrbaugh R.H., Jurs P.C. Descriptions of molecular shape applied in studies of structure/activity and structure/property relationships. Anal. Chim. Acta. 199:1987;99-109.
17. Shen Q., Jiang J.H., Shen G.L., Yu R.Q. Variable selection by an evolution algorithm using modified Cp based on MLR and PLS modeling: QSAR studies of carcinogenicity of aromatic amines. Anal. Bioanal. Chem. 375:2003;248-254.
18. Stanton D.T., Jurs P.C. Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies. Anal. Chem. 62:1990;2323-2329.
19. Zhu L.L., Hou T.J., Chen L.R., Xu X.J. 3D QSAR analyses of novel tyrosine kinase inhibitors based on pharmacophore alignment. J. Chem. Inf. Comput. Sci. 41:2001;1032-1040.
20. Viswanadhan V.N., Ghose A.K., Revankar G.R., Robins R.K. Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics. J. Chem. Inf. Comput. Sci. 29:1989;163-172.