Taxifolin acts as type I inhibitor for VEGFR-2 kinase: Stability evaluation by molecular dynamic simulation

Journal of Applied Pharmaceutical Science

Volumn 2, Issue 1, 2012, Pages 41-46

  Verma, Sharad ^a   Singh, Amit ^b   Mishra, Abha ^a  

^a BANARAS HINDU UNIVERSITY   (India)

^b BANARAS HINDU UNIVERSITY   (India)

Author keywords

DFG out; Molecular dynamic simulation; Taxifolin; Type I inhibitor; VEGFR 2

Indexed keywords

EID: 84871717571     PISSN: None     EISSN: 22313354     Source Type: Journal    
DOI: None     Document Type: Article

References (30)

1. Audron M., Regina K., Jonas A., Narimantas N. Inhibition of phthalocyanine-sensitized photohemolysis of human erythrocytes polyphenolic antioxidants: Description of quantitatives structure-activity relationships. Cancer Lett. 2000; 157: 39-44.
2. Berendsen H.J.C., Van der Spoel D., Van Drunen R. GROMACS - A MESSAGE-PASSING PARALLEL MOLECULAR-DYNAMICS IMPLEMENTATION, Phys. Commun. 1995; 91: 43-56.
3. Bong-Sik Y., In-Kyoung L., Jong-Pyung K., Sung-Hyun C., Gyu-Seop S., Ick-Dong Y. Lipid peroxidations inhibitory activity of some constituents isolated from the stem bark of Eucalyptus globulus. Arch. Pharmacal Res. 2000; 23: 147-150.
4. Cochran A.G. Chem. Biol. 2000; 7: R85;
5. Manley P.W., Furet P. In Anticancer Agents: Frontiers in Cancer Chemotherapy; I. Ojima, G. Vite, K. Altmann, Eds. ACS Symposium Series 796; American Chemical Society: Washington, DC, 2001; 282.
6. De Vries C., Escobedo J.A., Ueno H., Houck K., Ferrara N., Williams L.T. The fms-like tyrosine kinase, a receptor for vascular endothelial growth factor. Science. 1992; 255: 989-991
7. Dvorak H.F., Brown L.F., Detmar M., Dvorak A.M. Vascular permeability factor/vascular endothelial growth factor, microvascular hyperpermeability, and angiogenesis. Am. J. Pathol. 1995; 146: 1029-1039.
8. Ferrara N., Gerber H.P., LeCouter J. The biology of VEGF and its receptors. Nat. Med. 2003; 9: 669-76.
9. Folkman J. What is the evidence that tumors are angiogenesis dependent?, J. Natl. Cancer Inst. 1990; 82: 4-6.
10. Folkman J., Shing Y. Angiogenesis. J. Biol. Chem. 1992; 267:10931-10934.
11. Hicklin D.J., Ellis L.M. Role of the vascular endothelial growth factor pathway in tumor growth and angiogenesis. J. Clin. Oncol. 2005; 23: 1011-1027.
12. Huang Z.H., Fang G.Z. Study on purifying arabinogalactan from Larix gmelini Rupr. by column chromatography. Chemistry Industry of Forest Product. 2005; 25: 125-128
13. Klagsbrun M., D'Amore P.A. Regulators of angiogenesis. Annu. Rev. Physiol. 1991; 53 217-239.
14. Lee K., Jeong K., Lee Y., Song J.Y., Kim M.S., Lee G.S., Kim Y. Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase Inhibitors. Eu. J. Med. Chem. 2010; 45: 5420-5427
15. Lindah E., Hess B., Van der Spoel D. Gromacs 3.0: A package for molecular simulation and trajectory analysis. J. Mol. Model. 2001; 7: 306-317.
16. Liu Y., Gray N.S. Rational design of inhibitors that bind to inactive kinase conformations, Nat. Chem. Biol. 2006; 2: 358-364.
17. Los M., Roodhart J.M., Voest E.E. Target practice: lessons from phase III trials with bevacizumab and vatalanib in the treatment of advanced colorectal cancer. Oncolo. 2007; 12: 443-450.
18. Morris G.M., Goodsell D.S., Halliday R.S., Huey R., Hart W.E., Belew R.K., Olson A.J. Automated Docking Using a Lamarckian Genetic Algorithm and and Empirical Binding Free Energy Function, J. Comp. Chem. 1998; 19: 1639-1662.
19. Schmidt U., Ahmed J., Michalsky E., Hoepfner M., Preissner R. Comparative VEGF receptor tyrosine kinase modeling for the development of highly specific inhibitors of tumor angiogenesis, Genome Inform. 2008; 20: 243-251.
20. Shalaby F., Rossant J., Yamaguchi T.P., Gertsenstein M., Wu. X.F., Breltman M.L., Schuh A.C. Failure of blood-island formation and vasculogenesis in Flk-1-deficient mice. Nat. 1995 376: 62-66.
21. Shawver L.K., Lipson K.E., Fong T.A.T., McMahon G., Plowman G.D., Strawn L.M. Receptor Tyrosine Kinases as Targets for Inhibition of Angiogenesis. Drug Discov. Tod. 1997; 2: 50-63.
22. Sudhamalla B., Gokara M., Ahalawat N., Amooru D.G., Subramanyam R. Molecular Dynamics Simulation and Binding Studies of beta-Sitosterol with Human Serum Albumin and Its Biological Relevance. J. phys. Chem. 2010; 114: 9054-9062.
23. Traxler P. Tyrosine kinases as targets in cancer therapy -successes and failures. Exp. Opin. Ther. Targ. 2003; 7: 215-234.
24. Traxler P., Furet P. Strategies toward the design of novel and selective protein tyrosine kinase inhibitors, Pharmacol. Ther. 1999; 82: 195-206.
25. Underiner T.L., Ruggeri B., Gingrich D.E. Development of vascular endothelial growth factor receptor (VEGFR) kinase inhibitors as anti-angiogenic agents in cancer therapy, Curr. Med. Chem. 2004; 11: 731-745.
26. Van Gunsteren W.F., Billeter S.R., Eising A.A., Hunenberger P.H., Kruger P.K.H.C., Mark A.E., Scott W.R.P., Tironi I.G. Biomolecular Simulation: The GROMOS96 Manual and User Guide; Vdf Hochschulverlag AG: Zurich, 1996.
27. Van Gunsteren W.F., Daura X., Mark A.E. The GROMOS force field. In Encyclopedia of Computational Chemistry; Wiley and Sons: Chichester, UK. 1998; 2: 1211-1216.
28. Wang Y., Zu Y., Long J., Fu Y., Li S., Zhang D., Li J., Wink M., Efferth T. Enzymatic water extraction of taxifolin from wood sawdust of Larix gmelini (Rupr.) Rupr. and evaluation of its antioxidant activity. Food Chem. 2011; 126: 1178-1185
29. Yang J.C., Haworth L., Sherry R.M., Hwu P., Schwartzentruber D.J., Topalian S.L., Steinberg S.M., Chen H.X., Rosenberg S.A. A randomized trial of bevacizumab, an anti-vascular endothelial growth factor antibody, for metastatic renal cancer. N. Engl. J. Med. 2003; 349: 427-434.
30. Yang Y., Shi L., Zhou Y., Li H., Zhu Z., Zhu H. Design, synthesis and biological evaluation of quinoline amide derivatives as novel VEGFR-2 inhibitors Bioorganic & Medicinal Chemistry Lett. 2010; 20: 6653-6656