Reactions of DNA bases with the anti-cancer nitrogen mustard mechlorethamine: A quantum chemical study

Chemical Physics Letters

Volumn 449, Issue 4-6, 2007, Pages 323-328

  Shukla, P K ^a   Mishra, P C ^a   Suhai, S ^b  

^a BANARAS HINDU UNIVERSITY   (India)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYLATION; DENSITY FUNCTIONAL THEORY; DNA; NITROGEN; ONCOLOGY;

ANTI-CANCER NITROGEN MUSTARD MECHLORETHAMINE; CARBONYL OXYGEN SITES; DNA BASES;

QUANTUM CHEMISTRY;

EID: 36348959703     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.10.072     Document Type: Article

References (31)

1. Sanderson B.J., and Shield A.J. Mutat. Res. 355 (1996) 41
2. Balcome S., Soobong P., Dorr D.R.Q., Hafner L., Philips L., and Tretyakova N. Chem. Res. Toxicol. 17 (2004) 950
3. Rajski S.R., and Williams R.M. Chem. Rev. 98 (1998) 2723
4. Noll D.M., Mason T.M., and Miller P.S. Chem. Rev. 106 (2006) 277
5. Gilman A., and Philips F.S. Science 103 (1946) 409
6. Parker L.L., Anderson F.M., O'Hare C.C., Lacy S.M., Bingham J.P., Robins D.J., and Hartley J.A. Bioorg. Med. Chem. 13 (2005) 2389
7. Povirk L.F., and Shuker D.E. Mutat. Res. 318 (1994) 205
8. McHugh P.J., Gill R.D., Waters R., and Hartley J.A. Nucleic Acids Res. 27 (1999) 3259
9. Lawley P.D., and Brookes P. Nature 206 (1965) 480
10. Singer B. Nature 264 (1976) 333
11. Beranek D.T., Weis C.C., and Swenson D.H. Carcinogenesis 1 (1980) 595
12. Hemminki K., and Kallama S. IARC Sci. Publ. 78 (1986) 55
13. In: Friedberg E.C., Walker G.C., and Siede W. (Eds). DNA Repair and Mutagenesis (1995), ASM Press, Washington, DC, USA
14. Brookes P., and Lawley P.D. Biochem. J. 80 (1961) 496
15. Masta A., Gray P.J., and Phillips D.R. Nucleic Acids Res. 22 (1994) 3880
16. Osborne M.R., Wilman D.E.V., and Lawley P.D. Chem. Res. Toxicol. 8 (1995) 316
17. Bauer G.B., and Povirk L.F. Nucleic Acids Res. 25 (1997) 1211
18. Rink S.M., Solomon M.S., Taylor M.J., Rajur S.B., McLaughlin L.W., and Hopkins P.B. J. Am. Chem. Soc. 115 (1993) 2551
19. Antoine M., Fabris D., and Fenselau C. Drug Metab. Dispos. 26 (1998) 921
20. Becke A.D. J. Chem. Phys. 98 (1993) 5648
21. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
22. Frisch M.J., et al. Chem. Phys. Lett. 166 (1990) 275
23. Frisch M.J., et al. Chem. Phys. Lett. 166 (1990) 281
24. Mennucci B., and Tomasi J. J. Chem. Phys. 106 (1997) 5151
25. Breneman C.M., and Wiberg K.B. J. Comput. Chem. 11 (1990) 361
26. Gonzalez C., and Schlegel H.B. J. Chem. Phys. 90 (1989) 2154
27. Frisch M.J., et al. Gaussian 98W, Revision A.11.2 (2001), Gaussian, Inc., Pittsburgh, PA
28. Frisch A.E., et al. GaussView Rev. 3.9 (2003), Gaussian, Inc., Pittsburgh, PA
29. Rink S.M., and Hopkins P.B. Biochemistry 34 (1995) 1439
30. Hamza A., Broch H., and Vasilescu D. J. Biomol. Struct. Dyn. 13 (1996) 915
31. Broch H., Hamza A., and Vasilescu D. Int. J. Quant. Chem. 60 (1996) 1745