QSAR of aromatic substances: Protein tyrosine kinase inhibitory activity of flavonoid analogues

Chemical Biology and Drug Design

Volumn 70, Issue 5, 2007, Pages 437-449

  Deeb, Omar ^a   Clare, Brian W ^b  

^a AL QUDS UNIVERSITY   (Palestine)

^b UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

Author keywords

Aromatic; Flavonoid; Flip regression; Orbital nodes; Quantitative structure activity relationship

Indexed keywords

AROMATIC COMPOUND; FLAVONOID; PROTEIN TYROSINE KINASE;

ARTICLE; CHEMICAL BOND; DRUG MECHANISM; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITION; PRIORITY JOURNAL; PROTEIN INTERACTION;

ENZYME INHIBITORS; FLAVONOIDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN-TYROSINE KINASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIP; XANTHONES;

EID: 35348965126     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2007.00578.x     Document Type: Article

References (21)

1. Deeb O., Alfalah S., Clare B. (2006) QSAR of aromatic substances: MAO inhibitory activity of xanthone derivatives. J Enzyme Inhib Med Chem 22: 277 286.
2. Andersen Ø.M., Markham K.R. editors (2005) Flavonoids: Chemistry, Biochemistry and Applications. Boca Raton: CRC Press.
3. Grotewold E., editor (2006) The Science of Flavonoids. New York: Springer.
4. Ullrich A., Schlessinger J. (1990) Signal transduction by receptors with tyrosine kinase activity. Cell 61: 203 212.
5. Bishop J.M. (1987) The molecular genetics of cancer. Science 235: 305 311.
6. Bishop J.M. (1983) Cellular oncogenes and retroviruses. Annu Rev Biochem 52: 301 354.
7. Hagiwara M., Inoue S., Tanaka T., Nunoki K., Ito M., Hidaka H. (1988) Differential effects of flavonoids as inhibitors of tyrosine protein kinases and serine/threonine protein kinases. Biochem Pharmacol 37: 2987 2992.
8. lck protein tyrosine kinase inhibitors. A neural network approach. J Chem Inf Comput Sci 37: 990 998.
9. lck protein tyrosine kinase: a classical/quantum chemical approach. Quant Struct-Act Relat 17: 7 13.
10. Oblak M., Randic M., Solmajer T. (2000) Quantitative structure-activity relationship of flavonoid analogues: 3. Inhibition of p56lck protein tyrosine kinase. J Chem Inf Comp Sci 40: 994 1001.
11. Stefanic-Petek A., Krbavcic A., Solmajerc T. (2002) QSAR of flavonoids: 4. Differential inhibition of aldose reductase and p56lck protein tyrosine kinase. Croatica Chem Acta 75: 517 529.
12. Amic D., Davidovic-Amic D., Beslo D., Rastija V., Lucic B., Trinajstic N. (2007) SAR and QSAR of the antioxidant activity of flavonoids. Curr Med Chem 14: 827 845.
13. Clare B.W. (1998) The frontier orbital phase angles: novel QSAR descriptors for benzene derivatives, applied to phenylalkylamine hallucinogen. J Med Chem 41: 3845 3856.
14. Supuran C.T., Clare B.W. (2004) Quantum theoretic QSAR of benzene derivatives: some enzyme inhibitors. J Enzyme Inhib Med Chem 19: 237 248.
15. Clare B.W. (2004) A novel quantum theoretic QSAR for hallucinogenic tryptamines: a major factor is the orientation of π orbital nodes. Theochem 712: 143 148.
16. Clare B.W., Supuran C.T. (2005) A physically interpretable quantum-theoretic QSAR for some carbonic anhydrase inhibitors with diverse aromatic rings, obtained by a new QSAR procedure. Bioorg Med Chem 13: 2197 2211.
17. Stewart J.J.P. (1990) MOPAC. QCPE Bull 10: 86.
18. Fernandez Pacios L. (1994) ARVOMOL/CONTOUR: Molecular surface areas and volumes on personal computers. Comput Chem (Oxford) 18: 377 385.
19. Topliss J.G., Edwards R.P. (1979) Chance factors in studies of quantitative structure-activity relationships. J Med Chem 22: 1238 1244.
20. Topliss J.G., Costello R.J. (1972) Chance correlations in structure-activity studies using multiple regression analysis. J Med Chem 15: 1066 1068.
21. Clare B.W. (2006) QSAR of aromatic substances: toxicity of polychlorodibenzofurans. Theochem 763: 205 213.