| 手性配合物Λ, Δ-[Ru(phen)2hpip]2+的两种结构对含G:T错配DNA识别的分子力学研究 |
| |
| 引用本文： | 张翠萍,吴艳波,杨频.手性配合物Λ, Δ-[Ru(phen)2hpip]2+的两种结构对含G:T错配DNA识别的分子力学研究[J].中国化学,2006,24(6):739-744. |
| |
| 作者姓名： | 张翠萍 吴艳波 杨频 |
| |
| 作者单位： | Key Laboratory of Chemical Biology of Molecular Engineering of Ministry of Education at Institute of Molecular Science, Shanxi University, Taiyuan, Shanxi 030006, China |
| |
| 基金项目： | Project supported by the National Natural Science Foundation of China （No. 30470408） and the Shanxi Provincial Natural Science Foundation. |
| |
| 摘 要： | In this work, the recognition of DNA including G：T mismatched pairs by the two different structures of Ru（phen）2hpip]^2＋ was firstly studied with molecular modeling respectively. The results revealed that all of the four chiral isomers of the two structures could recognize the mismatched DNA from the minor groove orientation especially and the interaction was enantioselective and sitespecific. The two left isomers were more preferential than the right ones. Especially, the structure Ⅱ which had much lower energy after interacting with DNA was the advantaged structure. Detailed energy analysis indicated that the steric interaction in the process of the complex inserting base stack determined the recognition results and the electrostatic interaction made an effect to some extent.
|
| 关 键 词： | 分子模型 钌配合物 结构分析 空间碰撞 静电交互作用 |
| 收稿时间： | 2005-12-27 |
| 修稿时间： | 2005-12-272006-02-23 |
Molecular Modeling on the Recognition of Wobble DNA Including G:T Mismatched Pairs by Two Structures of Chiral Metal Complex Δ, Λ‐[Ru(phen)2hpip]2+ |
| |
| ZHANG Cui-Ping,WU Yan-Bo,YANG Pin.Molecular Modeling on the Recognition of Wobble DNA Including G:T Mismatched Pairs by Two Structures of Chiral Metal Complex Δ, Λ‐[Ru(phen)2hpip]2+[J].Chinese Journal of Chemistry,2006,24(6):739-744. |
| |
| Authors: | ZHANG Cui-Ping WU Yan-Bo YANG Pin |
| |
| Abstract: | In this work, the recognition of DNA including G:T mismatched pairs by the two different structures of Ru(phen)2hpip]2+ was firstly studied with molecular modeling respectively. The results revealed that all of the four chiral isomers of the two structures could recognize the mismatched DNA from the minor groove orientation especially and the interaction was enantioselective and sitespecific. The two left isomers were more preferential than the right ones. Especially, the structure II which had much lower energy after interacting with DNA was the advantaged structure. Detailed energy analysis indicated that the steric interaction in the process of the complex inserting base stack determined the recognition results and the electrostatic interaction made an effect to some extent. |
| |
| Keywords: | metal complex molecular modeling steric collision electrostatic interaction |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《中国化学》浏览原始摘要信息 |
| 点击此处可从《中国化学》下载免费的PDF全文 |
