AM1 Study of N-2-Acetylaminofluorene bonded to Deoxyguanosine at the Minor Adduct Site

被引：0
|
作者：
M. Besson
E.P. Batchelor
机构：
[1] Villanova University,Department of Physics
[2] University of Pennsylvania,Department of Physics and Astronomy
来源：
Journal of Biological Physics | 2004年 / 30卷
关键词：
deoxyguanosine; -2-ac;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
We have computed the total energy as a function of six important torsion angles of the carcinogen N-2-acetylaminofluorene (AAF) bonded to thenitrogen N2 of deoxyguanosine using the semiempirical quantum mechanical method AM1. One global minimum and one local minimum are found separated by a modest barrier. We have computed the normal-mode frequencies of the relevant torsional motions and have determined the rate of conversion betweenthe two minima.
引用
下载
收藏
页码：161 / 169
页数：8
相关论文
共 50 条
  • [21] Substitutionally B, N and P doped C80 -: an AM1 study
    Türker, L
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 638 : 63 - 67
  • [22] AM1 study of the reaction between NCO and NO2 yielding N2O and CO2
    Liu, GS
    Song, XF
    Yu, JG
    Qian, XH
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 578 : 93 - 98
  • [23] AM1 STUDY OF A BETA-CARBOLINE SET .2. PYRROLE-N DEPROTONATED SPECIES
    CARMONA, C
    HIDALGO, J
    MARCOS, ES
    PAPPALARDO, RR
    MUNOZ, M
    BALON, M
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1990, (11): : 1881 - 1884
  • [24] Minor groove DNA conformations of the N-2 guanine adduct of 2-acetylaminofluorene (AAF): Differing orientations in different sequence contexts.
    Grad, R
    Shapiro, R
    Hingerty, BE
    Broyde, S
    BIOPHYSICAL JOURNAL, 1996, 70 (02) : MP449 - MP449
  • [25] ROTATIONAL BARRIERS IN 2,6-DISUBSTITUTED PHENOLS - AN AM1 STUDY
    HUANG, MJ
    BREWSTER, M
    POP, E
    BODOR, N
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 203 : 52 - ORGN
  • [26] C61H2 FULLEROID - AM1 COMPUTATIONAL STUDY
    SLANINA, Z
    UHLIK, F
    LEE, SL
    ADAMOWICZ, L
    FULLERENE SCIENCE AND TECHNOLOGY, 1994, 2 (01): : 13 - 24
  • [27] Regio- and stereoselectivity of [2+3] cycloaddition of (E)-β-nitrostyrenes to (Z)-C,N-diphenylnitrone in the light of AM1 and AM1/COSMO calculations
    Baranski, A
    Olszanska, M
    Baranska, K
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2000, 13 (09) : 489 - 498
  • [28] Semiempirical (AM1) Studies of Possible and Preferred Site(s) of Porotnation in the Gas Phase for Polyfunctional Nitrogen Bases: N1, N1-Dimethyl-N2-azinylformamidines
    Raczynska, E. D.
    Taft, R. W.
    Bulletin of the Chemical Society of Japan, 70 (06):
  • [29] Semiempirical (AM1) studies of possible and preferred site(s) of protonation in the gas phase for polyfunctional nitrogen bases: N-1, N-1-dimethyl-N-2-azinylformamidines
    Raczynska, ED
    Taft, RW
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1997, 70 (06) : 1297 - 1305
  • [30] NMR characterization of a DNA duplex containing the major acrolein-derived deoxyguanosine adduct γ-OH-1,N2-propano-2′-deoxyguanosine
    de los Santos, C
    Zaliznyak, T
    Johnson, F
    JOURNAL OF BIOLOGICAL CHEMISTRY, 2001, 276 (12) : 9077 - 9082
12345