Proton catalyzed hydrolytic deamination of cytosine: A computational study

Theoretical Chemistry Accounts

Volumn 120, Issue 4-6, 2008, Pages 429-435

  Labet, V ^a   Grand, A ^a   Morell, C ^a   Cadet, J ^a   Eriksson, L A ^b  

^a CEA GRENOBLE   (France)

^b ÖREBRO UNIVERSITY   (Sweden)

Author keywords

B3LYP; Cytosine; DNA; Hydrolytic deamination; Mutation

Indexed keywords

EID: 45449088141     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0418-7     Document Type: Article

References (51)

1. Burgur A (1983). A Guide to the Chemical Basis of Drug Design. Wiley, New York
2. Peng W and Shaw BR (1996). Biochemistry 35: 10172-10181
3. Florián J, Baumruk V and Leszczyñski J (1996). J Phys Chem 100: 5578-5589
4. Sponer J, Leszczynski J and Hobza P (1996). J Comput Chem 117: 841-850
5. Estrin DA, Paglieri L and Corongiu G (1994). J Phys Chem 98: 5653-5660
6. Scanlan MJ and Hillier IH (1984). J Am Chem Soc 106: 3737-3745
7. Chandra AK, Nguyen MT and Zeegers-Huyskens T (2000). J Mol Struct (Theochem) 519: 1-11
8. Chandra AK, Michalska D, Wysokinsky R and Zeegers-Huyskens T (2004). J Phys Chem A 108: 9593-9600
9. Civcir PÜ (2000). J Mol Struc (Theochem) 532: 157-169
10. Gould IR, Green DVS, Young P and Hillier IH (1992). J Org Chem 57: 4434-4437
11. Morpurgo S, Bossa M and Morpurgo GO (2000). Adv Quantum Chem 36: 169-183
12. Sambrano JR, Souza AR, Queralt JJ and Andrés J (2000). Chem Phys Lett 317: 437-443
13. Colominas C, Luque FJ and Orozco M (1996). J Am Chem Soc 118: 6811-6821
14. Fogarasi G (2002). J Phys Chem A 106: 1381-1390
15. Fogarasi G and Szalay PG (2002). Chem Phys Lett 356: 383-390
16. Person WB, Szczepaniak K, Szczesniak M, Kwiatkowski JS, Hernandez L and Czerminski R (1989). J Mol Struc (Theochem) 194: 239-258
17. Brown RD, Godfrey PD, McNaughton D and Pierlot AP (1989). J Am Chem Soc 111: 2308-2310
18. Monajjemi M, Ghiasi R, Ketabi S, Passdar H, Mollaamin F (2004) pp 11-18
19. Monajjemi M, Ghiasi R and Abedi A (2005). Theor Inorg Chem 50: 435-441
20. Burda J, Sponer J, Leszczynski J and Hobza P (1997). J Phys Chem B 101: 9670-9677
21. Sponer J, Burda JV, Sabat M, Leszczynski J and Hobza P (1998). J Phys Chem A 102: 5951-5957
22. Sponer JE, Miguel PJ, Rodruigez-Santiago L, Erxleben A, Krumm M, Sodupe M, Sponer J and Lippert B (2004). Angew Chem Int Ed 43: 5396-5399
23. Russo N, Toscano M and Grand A (2001). J Phys Chem B 105: 4735-4741
24. Russo N, Sicilia E, Toscano M and Grand A (2002). Int J Quantum Chem 90: 903-909
25. Russo N, Toscano M and Grand A (2001). J Am Chem Soc 123: 10272-10279
26. Russo N, Toscano M and Grand A (2003). J Mass Spectrom 38: 265-270
27. Russo N, Toscano M and Grand A (2003). J Phys Chem A 107: 11533-11538
28. Marino T, Toscano M, Russo N and Grand A (2004). Int J Quantum Chem 98: 347-354
29. Marino T, Mazzuca D, Toscano M, Russo N and Grand A (2007). Int J Quantum Chem 107: 311-317
30. Brown D and Phillips JH (1965). J Mol Biol 11: 663-671
31. Notari RE, Chin ML and Cardoni A (1970). J Pharm Sci 59: 27-32
32. Dreyfus M, Bensaude O, Dodin G and Dubois JE (1976). J Am Chem Soc 98: 6338-6349
33. Shapiro R and Klein R (1966). Biochemistry 5: 2358-2362
34. Chen H and Shaw BR (1994). Biochemistry 33: 4121-4129
35. Glaser R, Rayat S, Lewis M, Son M-S and Meyer S (1999). J Am Chem Soc 121: 6108-6119
36. Shapiro R and Klein R (1967). Biochemistry 6: 3576-3782
37. Frederico LA:, Kunkel TA and Shaw BR (1990). Biochemistry 29: 2532-2537
38. Lindahl T and Nyberg B (1974). Biochemistry 13: 3405-3410
39. Duncan BK and Miller JH (1980). Nature 287: 560-561
40. Almatarneh MH, Flinn CG, Poirier RA and Sokalski WA (2006). J Phys Chem A 110: 8227-8234
41. Yao L, Li Y, Wu Y, Liu A and Yan H (2005). Biochemistry 44: 5940-5947
42. Becke AD (1993). J Chem Phys 98: 5648-5652
43. Lee C, Yang W and Parr RG (1988). Phys Rev B 37: 785-789
44. McLean AD and Chandler GS (1980). J Chem Phys 72: 5639
45. Krishnan R, Binkley JS, Seeger R and Pople JA (1980). J Chem Phys 72: 650
46. Frisch MJ, Pople JA and Binkley JS (1984). J Chem Phys 80: 3265
47. Cancès MT, Mennucci B and Tomasi J (1997). J Chem Phys 107: 3032-3041
48. Mennucci B and Tomasi J (1997). J Chem Phys 106: 5151-5158
49. Cossi M, Scalmani G, Rega N and Barone V (2002). J Chem Phys 117: 43-54
50. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskortz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chem W, Wong MW, Gonzalez C, Pople JA. Gaussian 03, Revision C.02, Gaussian: Wallingford, 2004
51. Llano J and Eriksson LA (2002). J Chem Phys 117: 10193-10206