Pharmacophore and 3D QSAR study of TGFβ inhibitors

Letters in Drug Design and Discovery

Volumn 11, Issue 3, 2014, Pages 316-330

  Vazhapully, Mohamed Asraf ^a   Vinod, D ^b   Zeinul Hukuman, N H ^a  

^a Department of PG Studies and Research in Botany   (India)

^b MADRAS MEDICAL COLLEGE   (India)

Author keywords

Atom based QSAR; Cardiogenesis; Pharmacophore; TGF signalling

Indexed keywords

EID: 84893773143     PISSN: 15701808     EISSN: 1875628X     Source Type: Journal    
DOI: 10.2174/157018081131000071     Document Type: Article

References (35)

1. Derynck, R.; Miyazono, K.. In: TGFβ and the TGFβ Family; Derynck, R., Miyazono, K, Ed.; Cold Spring Harbor Laboratory Press: Cold Spring, Harbor, NY, 2008; pp. 29-43.
2. Rosemary, J.; Akhurst ; Akiko Hata. , Targeting the TGFβ signalling pathway in disease. Nat. Rev. Drug Discov., 2012, 11, 790- 811.
3. Horbelt, D.; Denkis, A.; Knaus, P., A portrait of Transforming Growth Factor β superfamily signalling: Background matters. Int. J. Cell Biol., 2012, 44(3), 469-74.
4. Dennis Schade; Marion Lanier; Erik Willems; Karl Okolotowicz; Paul Bushway; Christine Wahlquist; Cynthia Gilley; Mark Mercola; John R. Cashman., Synthesis and SAR of b-Annulated 1, 4- Dihydropyridines Define Cardiomyogenic Compounds as Novel Inhibitors of TGFβ Signaling. J. Med. Chem., 2012, 55(22), 9946- 9957.
5. Pardali, E.; Goumans, MJ.; ten Dijke P., Signaling by members of the TGF-β family in vascular morphogenesis and disease. Trends Cell Biol., 2010, 20(9), 556-67.
6. Shimizu, C.; Jain, S.; Davila, S., Transforming growth factor-β signaling pathway in patients with Kawasaki disease. Circ. Cardiovasc. Genet., 2011, 4(1), 16-25.
7. Leona, E. Ling.; Wen-Cherng Lee., TGF-Beta Type 1 Receptor (Alk5) Kinase Inhibitors in Oncology. Curr. Pharm. Biotechnol., 2011, 12(12), 2190-2202
8. Elise F. Saunier.; Rosemary J. Akhurst., TGF Beta Inhibition for Cancer Therapy. Curr. Cancer Drug Targets., 2006, 6(7), 565-578
9. Heldin, C. H.; Miyazono, K..; ten Dijke, P., TGF-β signalling from cell membrane to nucleus through SMAD proteins. Nature, 1997, 390(6659), 465-71.
10. ten Dijke, P.; Arthur, HM., Extracellular control of TGFβ signalling in vascular development and disease. Nat. Rev. Mol. Cell Biol., 2007, 8(11), 857-69.
11. Pardali, E; ten Dijke, P., Transforming growth factor-β signaling and tumor angiogenesis. Front Biosci., 2009, 14, 4848-61.
12. ten Dijke, P.; Goumans, MJ.; Pardali, E., Endoglin in angiogenesis and vascular diseases. Angiogenesis, 2008, 11(1), 79-89.
13. Gigante M.; Gesualdo L.; Ranieri E., TGF-Beta: a Master Switch in Tumor Immunity. Curr. Pharm. Des., 2012, 18(27), 4126-4134
14. Rodriguez-Martinez G and Velasco I., Activin and TGF-β Effects on Brain Development and Neural Stem Cells., CNS Neurol. Disord. Drug Targets, 2012, 11(7), 844-855
15. Andreas Hilbig.; Helmut Oettle., Transforming Growth Factor Beta in Pancreatic Cancer. Curr. Pharm. Biotechnol., 2011, 12(12), 2158-2164
16. Doetschman, T.; Barnett, JV.; Runyan, RB.; Camenisch TD.; Heimark RL.; Granzier HL.; Conway SJ.; Azhar M., Transforming growth factor β signaling in adult cardiovascular diseases and repair. Cell Tissue Res., 2012, 347(1), 203-23.
17. van Meeteren, LA.; Goumans, MJ.; ten Dijke, P., TGF-β Receptor Signaling Pathways in Angiogenesis; Emerging Targets for Anti- Angiogenesis Therapy. Curr. Pharm. Biotechnol., 2011, 12(12), 2108-20.
18. Kingsley, DM., The TGF-beta superfamily: new members, new receptors, and new genetic tests of function in different organisms. Genes Dev., 1994. 8(2), 133-46.
19. Erin C. Connolly.; Julia Freimuth.; Rosemary J. Akhurst., Complexities of TGF-β Targeted Cancer Therapy. Int. J. Biol. Sci., 2012, 8(7), 964-978.
20. Wharton, K.; Derynck, R., TGFbeta family signaling: novel insights in development and disease. Development, 2009, 136(22), 3691-3697.
21. Levy, L.; Hill CS., Alterations in components of the TGF-beta superfamily signaling pathways in human cancer. Cytokine Growth Factor Rev., 2006, 17(1-2), 41-58.
22. Biernacka, A.; Dobaczewski, M.; Frangogiannis, NG., TGF-beta signaling in fibrosis. Growth Factors, 2011, 29 (5), 196-202.
23. Lijnen, PJ.; Petrov, VV.; Fagard, RH., Induction of cardiac fibrosis by transforming growth factor-β1. Mol. Genet. Metab., 2000, 71(1- 2), 418-435.
24. Deten, A.; Holzl, A.; Leicht, M.; Barth, W.; Zimmer, HG., Changes in extracellular matrix and in transforming growth factor beta isoforms after coronary artery ligation in rats. J. Mol. Cell Cardiol., 2001, 33(6), 1191-207.
25. Dewald, O.; Ren, G.; Duerr, GD.; Zoerlein, M.; Klemm, C.; Gersch, C.; Tincey, S.; Michael, LH.; Entman, ML.; Frangogiannis, NG., Of mice and dogs: species-specific differences in the inflammatory response following myocardial infarction. Am. J. Pathol., 2004, 164(2), 665-77.
26. de Larco, JE.; Todaro, GJ., Growth factors from murine sarcoma virus-transformed cells, Proc. Natl. Acad. Sci. U S A, 1978, 75(8), 4001-5.
27. Roberts, AB.; Anzano, MA.; Lamb, LC.; Smith, JM.; Sporn MB., New class of transforming growth factors potentiated by epidermal growth factor: isolation from non-neoplastic tissues. Proc. Natl. Acad. Sci. U S A., 1981, 78(9), 5339-43.
28. Moses, HL.; Branum, EL.; Proper, JA.; Robinson, RA., Transforming growth factor production by chemically transformed cells. Cancer Res., 1981, 41(7), 2842-8.
29. Seyedin, SM.; Thompson, AY.; Bentz, H.; Rosen, DM.; McPherson, JM.; Conti, A.; Siegel, NR.; Galluppi, GR.; Piez KA., Cartilage-inducing factor-A. Apparent identity to transforming growth factor beta. J Biol Chem., 1986, 261(13), 5693-5.
30. Corwin Hansch.; Alka Kurup.; Rajni Garg.; Hua Gao., Chem- Bioinformatics and QSAR: A Review of QSAR Lacking Positive Hydrophobic Terms. Chem. Rev., 2001, 101 (3), 619-672.
31. W. J. Geldenhuys.; H. Nakamura., 3D-QSAR and docking studies on transforming growth factor (TGF)-b receptor 1 antagonists. Bioorg. Med. Chem. Lett., 2010, 20, 1918-1923.
32. Maestro, version 9.3, Schrödinger, LLC, New York, NY., 2012.
33. Phase, version 3.4, Schrödinger, LLC, New York, NY., 2012.
34. Dixon, S. L.; Smondyrev, A. M.; Knoll, E. H.; Rao, S. N.; Shaw, D. E.; Friesner, R. A., "PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results," J. Comput. Aided Mol. Des., 2006, 20, 647-671.
35. P. Geladi.; B. Kowalski.; Anal. Chim. Acta., 1986, 185, 1-17.