Efficiency of the protection of DNA with sterically hindered phenols against radiation damage: A computer simulation

The process of the interaction of B-DNA sugar radicals with 4-hydroxy-3,5-di-tert-butyl-alpha-methylbenzylamine and other inhibitors was studied by a developed computer simulation procedure (method of access window) in order to evaluate the effects of radiation protection and the formation of stereoisomers of initial 2-deoxyribose upon gamma-irradiation of a cell in the presence of an inhibitor. The radiation protection effect on DNA in terms of single-strand breaks does not exceed two thirds of the yield of sugar radicals, and the yield of C-1-, C-3-, and C-4-stereosiomers (potential sites of gene mutations) is less than 30% of the yield of sugar radicals. It was shown that the use of a set of inhibitors makes it possible to control the processes of the transformation of sugar radicals in DNA to ensure either its radiation protection or the formation of stereoisomers.