2'-脱氧氧杂鸟苷掺入DNA：基于理论计算的一氧化氮诱导诱变的分子基础。
Misincorporation of 2'-deoxyoxanosine into DNA: a molecular basis for NO-induced mutagenesis derived from theoretical calculations.
作者信息
Hernández B, Soliva R, Luque F J, Orozco M
机构信息
Departament de Bioquímica, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1, Barcelona 08028, Spain.
出版信息
Nucleic Acids Res. 2000 Dec 15;28(24):4873-83. doi: 10.1093/nar/28.24.4873.
Abstract
A wide range of theoretical methods, including high level ab initio, density functional, self-consistent reaction field, molecular dynamics and thermodynamic integration calculations, have been used to analyze the mutagenic properties of oxanosine. The major tautomeric forms in the gas phase and aqueous solution have been determined. The ability of oxanosine to recognize thymine and cytosine in the gas phase and in the DNA environment has been compared with that of guanine. A physicochemical explanation for the mutagenic properties of oxanosine is suggested.
摘要
人们运用了广泛的理论方法，包括高水平从头算、密度泛函、自洽反应场、分子动力学和热力学积分计算，来分析氧杂鸟苷的诱变特性。已确定了其在气相和水溶液中的主要互变异构形式。将氧杂鸟苷在气相和DNA环境中识别胸腺嘧啶和胞嘧啶的能力与鸟嘌呤的这种能力进行了比较。文中提出了对氧杂鸟苷诱变特性的物理化学解释。
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