Effects of halogen substitution on Watson-Crick base pairing: A possible mechanism for radiosensitivity

被引：10

作者：

Heshmati, Emran ^{[1
]}

Abdolmaleki, Parviz ^{[1
]}

Mozdarani, Hossein ^{[2
]}

Sarvestani, Amir Sabet ^{[1
]}

机构：

[1] Tarbiat Modares Univ, Fac Sci, Dept Biophys, Tehran, Iran

[2] Tarbiat Modares Univ, Sch Med Sci, Dept Med Genet, Tehran, Iran

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2009年 / 19卷 / 17期

关键词：

HaloUracile; Density functional theory; Radiosensitizer; IODO-DEOXYURIDINE; DNA; RADIATION; CELLS; PYRIMIDINES; 5-IODODEOXYURIDINE; GEOMETRY; DAMAGE;

D O I：

10.1016/j.bmcl.2009.06.105

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The halogen substituent effect on geometries and charge distributions of the A-T base pair derivatives was evaluated using density functional theory at B3LYP/6-31G* level. The results indicate that all of the substitutions affect geometries and charge distributions of the atoms contributing hydrogen bonds. These changes would be the reason of the radiosensitization of these compounds incorporating DNA. (C) 2009 Published by Elsevier Ltd.

引用

页码：5256 / 5260

页数：5

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