AN ABINITIO MOLECULAR-ORBITAL STUDY ON THE CHARACTERISTICS OF 8-HYDROXYGUANINE
AN ABINITIO MOLECULAR-ORBITAL STUDY ON THE CHARACTERISTICS OF 8-HYDROXYGUANINE
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DOI：
10.1016/0165-7992(87)90101-1
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发表时间：
1987-10-01
期刊：
影响因子：
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通讯作者：
NISHIMURA, S
中科院分区：
文献类型：
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作者：
AIDA, M;NISHIMURA, S
为了研究DNA中的8-羟基鸟嘌呤残基影响DNA复制保真度的机制，使用从头算分子轨道方法研究了这种修饰碱基的内在性质。最稳定的8-羟基鸟嘌呤形式是6，8-二酮。在鸟嘌呤碱基的8位上添加一个氧原子，可以完全改变分子的静电势，使其具有负性。这种效应可能会影响含8-羟基鸟嘌呤的DNA的局部结构和与DNA聚合酶的相互作用，从而导致DNA复制的失真。
To investigate the mechanism by which the 8-hydroxyguanine residue in DNA affects the fidelity of DNA replication, the intrinsic properties of this modified base were investigated using an ab initio molecular orbital method. The most stable 8-hydroxyguanine form was revealed to be 6,8-diketo. The addition of an oxygen atom to the 8 position of a guanine base was shown to change the electrostatic potential of the molecule entirely and to give it a negative character. This effect may influence the local structure of 8-hydroxyguanine-containing DNA and the interaction with DNA polymerase, thereby resulting in infidelity of DNA replication.