Acta Chimica Sinica ›› 2007, Vol. 65 ›› Issue (2): 116-122. Previous Articles     Next Articles

Original Articles


常永龙, 张翠萍, 杨频*   

  1. (山西大学分子科学研究所 化学生物学与分子工程教育部重点实验室 太原 030006)
  • 收稿日期:2006-04-26 修回日期:2006-08-02 出版日期:2007-01-28 发布日期:2007-01-28
  • 通讯作者: 杨频

Molecular Mechanics Study on the Recognition and Partial Structural Repair of Cyclobutane Pyrimidine Dimer Including Double G:T Mis-matched Pairs by the Chiral Metal Complex Δ,Λ-[Ru(IP)2dppz]2+

CHANG Yong-Long; ZHANG Cui-Ping; YANG Pin*   

  1. (Institute of Molecular Science, Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Shanxi University, Taiyuan 030006)
  • Received:2006-04-26 Revised:2006-08-02 Online:2007-01-28 Published:2007-01-28
  • Contact: YANG Pin

The cyclobutane pyrimidine dimer (CPD) is the chief tache when ultraviolet ray damages DNA that could lead to skin cancer. XPC-hHR23B complex was used as the initial recognition complex of CPD. But its recognition efficiency was very low. This article firstly studied on the recognition of the chiral metal complex Δ,Λ-[Ru(IP)2dppz]2+ to CPD double helix DNA including double G:T mismatched pairs by molecular modeling. The results revealed that both of two isomers of [Ru(IP)2dppz]2+could recognize CPD and the interaction was enantioselective, grooveselective and sitespecific. We also found that the shape of two T bases forming CPD changed from mouth shape to approximate parallel shape after Λ-[Ru(IP)2dppz]2+intercalating DNA. That was the initial conformational repair.

Key words: metal complex, cyclobutane pyrimidine dimer (CPD), molecular modeling, setric hindrance, electrostatic interaction