Interaction of Cisplatin Adducts with Guanine Tautomers： A Theoretical Study of Metalated Tautomeric Forms  

作　　者：章志强 周立新 和芹 

机构地区：[1]Department of Chemistry, Jinan University, Guangzhou, Guangdong 510632, China [2]Department of Chemistry, Fuzhou University, Fuzhou, Fujian 350002, China

出　　处：《Chinese Journal of Chemistry》2005年第10期1327-1332,共6页中国化学（英文版）

基　　金：Project supported by the Science Foundation of Jinan University （No. 639）.

摘　　要：The influence of binding of cisplatin adducts on tautomeric equilibrium of guanine was investigated using quantum chemical method. The monoaqua adduct [Pt（NH3）2Cl（H2O）]^＋ and the diaqua adduct [Pt（NHa）2（H2O）2]^2＋ were chosen for coordination to the N（7） site of guanine tautomers. The results demonstrate that the platinum adducts influence moderately on tautomeric equilibrium, but do not change the relative stability of tautomers whether in gas phase or in aqueous solution. The keto form having H atom at N（1） and N（9） was always the predominant structure when cisplatin adducts were bound to guanine. However, other forms could coexist in water. Meanwhile, our calculations suggest that the tautomeric equilibrium should be via the same intermediate.The influence of binding of cisplatin adducts on tautomeric equilibrium of guanine was investigated using quantum chemical method. The monoaqua adduct [Pt（NH3）2Cl（H2O）]^＋ and the diaqua adduct [Pt（NHa）2（H2O）2]^2＋ were chosen for coordination to the N（7） site of guanine tautomers. The results demonstrate that the platinum adducts influence moderately on tautomeric equilibrium, but do not change the relative stability of tautomers whether in gas phase or in aqueous solution. The keto form having H atom at N（1） and N（9） was always the predominant structure when cisplatin adducts were bound to guanine. However, other forms could coexist in water. Meanwhile, our calculations suggest that the tautomeric equilibrium should be via the same intermediate.

关 键 词：CISPLATIN GUANINE TAUTOMER 

分 类 号：O629.74[理学—有机化学]