From natural products to drugs for epimutation computer-aided drug design

Applied Biochemistry and Biotechnology

Volumn 170, Issue 1, 2013, Pages 164-175

  Chikan, Naveed A ^a   Bhavaniprasad, V ^a   Anbarasu, K ^a   Shabir, Nadeem ^b   Patel, Trupti N ^a  

^a VIT UNIVERSITY   (India)

^b ANAND AGRICULTURAL UNIVERSITY   (India)

Author keywords

Cancer epigenetics; DNMT1; Epimutation; Molecular docking; Non nucleoside inhibitor; Virtual screening

Indexed keywords

CANCER EPIGENETICS; DNMT1; EPIMUTATION; MOLECULAR DOCKING; NON-NUCLEOSIDE INHIBITOR; VIRTUAL SCREENING;

BIOMOLECULES; DIAGNOSIS; DISEASES; ENZYME INHIBITION; GENETIC ENGINEERING; HYDROGEN BONDS; LEAD COMPOUNDS; MAINTENANCE; METHYLATION; MOLECULAR MODELING;

ALKYLATION;

13 METHYL 7,8,9,11,2,13,14,15,16,17 DECAHYDRO 6H CYCLOPENTA[A]PHENANTHRENE 3 16,17 TRIOL; 3,8,8 TRIMETHYL 6 METHYLENEOCTAHYDRO 1H 3A,7 METHANOAZULEN 5 OL; DNA METHYLTRANSFERASE 1; DNA METHYLTRANSFERASE INHIBITOR; ETHYL 2 DODECANAMIDO 3 HYDROXY 3 PHENYLPROPANOATE; NATURAL PRODUCTS AND THEIR SYNTHETIC DERIVATIVES; UNCLASSIFIED DRUG;

ANIMAL CELL; ARTICLE; CATALYSIS; COMPUTER AIDED DESIGN; COMPUTER MODEL; CONTROLLED STUDY; CRYSTAL STRUCTURE; DNA METHYLATION; DRUG ABSORPTION; DRUG DESIGN; DRUG DISTRIBUTION; DRUG ELIMINATION; DRUG METABOLISM; HYDROGEN BOND; MOLECULAR DOCKING; NONHUMAN;

ANTINEOPLASTIC AGENTS; BIOLOGICAL AGENTS; CATALYTIC DOMAIN; COMPUTER-AIDED DESIGN; CRYSTALLOGRAPHY, X-RAY; DNA (CYTOSINE-5-)-METHYLTRANSFERASE; DNA METHYLATION; DRUG DESIGN; ENZYME INHIBITORS; EPIGENESIS, GENETIC; GENE SILENCING; HUMANS; HYDROGEN BONDING; MOLECULAR DOCKING SIMULATION; NEOPLASMS;

EID: 84876674152     PISSN: 02732289     EISSN: 15590291     Source Type: Journal    
DOI: 10.1007/s12010-013-0158-6     Document Type: Article

References (43)

1. International Agency for Research on Cancer (IARC), Globacon 2002 in World Health Organization (WHO) and International Union Against Cancer (UICC) Report (2005) Global action against cancer. pp.1.
2. Jones, P. A.; Baylin, S. B. (2007). Cell, 128, 683-692. (Pubitemid 46273572)
3. Banno, K.; Kisu, I.; Yanokura, M.; Tsuji, K.; Masuda, K.; Ueki, A.; et al. (2012). International Journal of Oncology, 41, 793-797.
4. Brueckner, B.; Lyko, F. (2004). Trends in Pharmacological Sciences, 25(11), 551-554. (Pubitemid 39371143)
5. Esteller, M.; Corn, P. G.; Baylin, S. B.; Herman, J. G. (2001). Cancer Research, 61(8), 3225-3229.
6. Das, P. M.; Singal, R. J. (2004). Journal of Clinical Oncology, 15(22), 4632-4642. (Pubitemid 41185132)
7. Sippl, W.; Jung, M. (2009). Epigenetic targets in drug discovery. London: Wiley-VCH.
8. Bestor, T.; Laudano, A.; Mattaliano, R.; Ingram, V. (1988). Journal of Molecular Biology, 203, 971-983.
9. Robertson, K. D. (2001). Oncogene, 20(24), 3139-3155. (Pubitemid 32553570)
10. Baylin, S. B.; Herman, J. G. (2000). Trends in Genetics, 16, 168-174. (Pubitemid 30169152)
11. Huang, Y. W.; Kuo, C. T.; Stoner, K.; Huang, T. H.; Wang, L. S. (2011). FEBS Letters, 585, 2129-2136.
12. Lyko, F.; Brown, R. (2005). Journal of the National Cancer Institute, 97(20), 1498-1506. (Pubitemid 41631949)
13. Medina-Franco, J. L.; Caulfield, T. (2011). Drug Discovery Today, 9-10, 418-425.
14. Fang, M. Z. W.; Ai, Y.; Hou, N.; Sun, Z.; Lu, Y.; Welsh, H.; et al. (2003). Cancer Research, 63, 7563-7570.
15. Singh, N.; Dueñas-González, A.; Lyko, F.; Medina-Franco, J. L. (2009). ChemMedChem, 4, 792-799.
16. Liu, Z. F.; Xie, Z. L.; Jones, W.; Pavlovicz, R. E.; Liu, S. J.; Yu, J. H.; et al. (2009). Bioorganic & Medicinal Chemistry Letters, 19, 706-709.
17. Lee, W. J.; Zhu, B. T. (2006). Carcinogenesis, 27, 269-277. (Pubitemid 43159879)
18. Kirchmair, J.; Distinto, S.; Schuster, D.; Spitzer, G.; Langer, T.; Wolber, G. (2008). Current Medicinal Chemistry, 15, 2040-2053.
19. Siedlecki, P. G.; Boy, R.; Musch, T.; Brueckner, B.; Suhai, S.; Lyko, F.; et al. (2006). Journal of Medicinal Chemistry, 49, 678-683. (Pubitemid 43157497)
20. Kuck, D.; Singh, N.; Lyko, F.; Medina-Franco, J. L. (2010). Bioorganic & Medicinal Chemistry, 18, 822-829.
21. Suzuki, T.; Tanaka, R.; Hamada, S.; Nakagawa, H.; Miyata, N. (2010). Bioorganic & Medicinal Chemistry Letters, 2011, 1124-1127.
22. Yu, N.; Wang, M. (2008). Current Medicinal Chemistry, 15, 1350-1375. (Pubitemid 351997787)
23. Fandy, T. E. (2009). Current Medicinal Chemistry, 16, 2075-2085.
24. Siedlecki, P.; Boy, R. G.; Comagic, S.; Schirrmacher, R.; Wiessler, M.; Zielenkiewicz, P.; et al. (2003). Biochemical and Biophysical Research Communications, 306, 558-563. (Pubitemid 36683111)
25. Hashimoto, H. & Cheng, X. (2012). Structure of human DNMT1 (residues 600-1600) in complex with Sinefungin. http://www.rcsb.org/pdb/explore/explore. do?structureId=3SWR. Accessed 2012
26. Hodgson, J. (2001). Nature Biotechnology, 19(8), 722-726. (Pubitemid 32729533)
27. Davis, A. M.; Riley, R. J. (2004). Current Opinion in Chemical Biology, 8(4), 378-386. (Pubitemid 38996799)
28. Lee, S. K.; Chang, G. S.; Lee, I. H.; Chung, J. E.; Sung, K. Y.; No, K. T. (2004). EuroQSAR 2004. 9, 5-10, Istanbul, Turkey.
29. Lee, S. K.; Lee, I. H.; Kim, H. J.; Chang, G. S.; Chung, J. E.; No, K. T. (2003). Designing drugs and crop protectants: processes, problems and solutions. In M. G. Ford, D. Livingstone, J. Dearden, & H. V. de Waterbeemd (Eds.), Web-based program for rapid prediction of physic-chemical, drug absorption and drug-like properties (1st ed.; pp. 418-420). Boston: Blackwell Publishing.
30. Van de Waterbeemd, H.; Gifford, E. (2003). Nature Reviews Drug Discovery, 2(3), 192-204. (Pubitemid 37361664)
31. Trott, O.; Olson, A. J. (2010). Journal of Computational Chemistry, 31(2), 455-461.
32. Morris, G. M.; Huey, R.; Lindstrom, W.; Sanner, M. F.; Belew, R. K.; Goodsell, D. S.; et al. (2009). Journal of Computational Chemistry, 30(16), 2785-2791.
33. Accelrys Software Inc. (2012). Discovery studio modeling environment, Release 3.5. San Diego: Accelrys Software Inc.
34. Medina-Franco, J. L.; Lopez-Vallejo, F.; Kuck, D.; Lyko, F. (2011). Molecular Diversity, 15, 293-304.
35. Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. (2001). Advanced Drug Delivery Reviews, 46(1-3), 3-26.
36. Zhoa, Y. H.; Le, J.; Abraham, M. H.; Hersey, A.; Eddershah, P. J.; Luscombe, C. N.; et al. (2001). Journal of Pharmaceutical Sciences, 90, 749-784. (Pubitemid 32530451)
37. Van de Waterbeemed, H.; Camenisch, G.; Folkers, G.; Chretien, J. R.; Raevsky, O. A. (1998). Journal of Drug Targeting, 6, 151-165.
38. Lipinski, C. A. (2004). Drug Discovery Today: Technologies, 4, 337-341. (Pubitemid 40186335)
39. Yamashita, S.; Furubayashi, T.; Kataoka, M.; Sakane, T.; Sezaki, H.; Tokuda, H. (2000). European Journal of Pharmaceutical Sciences, 10, 195-204. (Pubitemid 30190095)
40. Yazdanian, M.; Glynn, S. L.; Wright, J. L.; Hawi, A. (1998). Pharmaceutical Research, 15(9), 1490-1494. (Pubitemid 28427942)
41. Irvine, J. D.; Takahashi, L.; Lockhart, K.; Cheong, J.; Tolan, J. W.; Selick, H. E.; et al. (1999). Journal of Pharmaceutical Sciences, 88, 28-33. (Pubitemid 29037364)
42. Yee, S. (1997). Pharmaceutical Research, 14, 763-766. (Pubitemid 27281671)
43. Ajay, A.; Bemis, G. W.; Murcko, M. A. (1999). Journal of Medicinal Chemistry, 42, 4942-4951.