Thymidine 3‘,5‘-Diphosphoric Acid Derived Cations and Radicals:  Ab Initio Study

Autor: Toure, P., Villena, F., Melikyan, G. G.
Zdroj: Organic Letters; November 2002, Vol. 4 Issue: 23 p3989-3992, 4p
Abstrakt: The relative stabilities of thymidine-3‘,5‘-diphosphoric acid (1) derived isomeric cations and radicals were calculated and key geometric parameters were thoroughly analyzed. The most probable sites of a hydride-ion (1‘, 2‘, 5-Me) and H-atom (4‘, 5‘, 5-Me) abstraction were identified, thus allowing prediction of the regioselectivity of potential damage to the deoxyribose ring and thymine moiety caused by carcinogenic agents of electrophilic and radical nature.
Databáze: Supplemental Index