N-2-乙酰氨基芴在次要加合物位点与脱氧鸟苷结合的AM1研究。
AM1 Study of N-2-Acetylaminofluorene bonded to Deoxyguanosine at the Minor Adduct Site.
作者信息
Besson M, Batchelor E P
机构信息
Department of Physics, Villanova University, Villanova, Pennsylvania 19085 USA.
出版信息
J Biol Phys. 2004 Jun;30(2):161-9. doi: 10.1023/B:JOBP.0000035860.68226.22.
Abstract
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.
摘要
我们使用半经验量子力学方法AM1计算了致癌物N-2-乙酰氨基芴（AAF）与脱氧鸟苷的氮N2键合时，作为六个重要扭转角函数的总能量。发现一个全局最小值和一个局部最小值被一个适度的势垒隔开。我们计算了相关扭转运动的简正模式频率，并确定了两个最小值之间的转换速率。
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本文引用的文献
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Mutat Res. 2001 Feb 20;473(2):211-7. doi: 10.1016/s0027-5107(00)00151-2.
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A molecular mechanics and dynamics study of the minor adduct between DNA and the carcinogen 2-(acetylamino)fluorene (dG-N2-AAF).DNA与致癌物2-（乙酰氨基）芴（dG-N2-AAF）之间次要加合物的分子力学与动力学研究
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Structural identification of the pyrimidine derivatives formed from N-(deoxyguanosin-8-yl)-2-aminofluorene in aqueous solution at alkaline pH.在碱性pH值的水溶液中由N-（脱氧鸟苷-8-基）-2-氨基芴形成的嘧啶衍生物的结构鉴定。
Carcinogenesis. 1980 Jun;1(6):459-68. doi: 10.1093/carcin/1.6.459.
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Conformation of the deoxydinucleoside monophosphate dCpdG modified at carbon 8 of guanine with 2-(acetylamino)fluorene.鸟嘌呤8位碳上被2-（乙酰氨基）芴修饰的脱氧二磷酸核苷dCpdG的构象
Biochemistry. 1982 Jun 22;21(13):3243-52. doi: 10.1021/bi00256a034.
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Conformation of 2-aminofluorene-modified DNA.2-氨基芴修饰的DNA的构象
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Studies on the conformation and dynamics of the C8-substituted guanine adduct of the carcinogen acetylaminofluorene; model for a possible Z-DNA modified structure.致癌物乙酰氨基芴的C8-取代鸟嘌呤加合物的构象与动力学研究；一种可能的Z-DNA修饰结构模型。
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