[Efficacy of radioprotectors and gene mutations following 2-deoxyribosyl damage. Computer modeling].
The fundamental new universal method of evaluation of the interaction between macroradical and radioprotector (the access window method) is presented here. It's based on the modelling phenomenon of molecule penetration to the active centre of macromolecule structure through the functional groups free "window". The steric modelling of the B-DNA structure fragments allowed to measure the conformation parameters of the intermediate stereocomplex between interacting substancies. Using the thesis about molecule InH mask the interaction process of InH (steric hindered phenol 4-oxy-3,5-di-tret-butyl-alpha-metylbenzylamine, mercaptoethanol, MET, and L-cysteine, CYS) with 2-deoxyribosyl five radicals in DNA was studied. It was determined, that the radioprotection maximum effect on single-strand breakage formation in irradiated cell can reach 2/3 of the total sugar radicals yield and for MET and CYS (with minor mask squares) -87.5, and 91%, accordingly (it agrees with experiment in literature data).
Kuzurman
P A
PA
Emanuel Institute of Biochemical Physics, Russian Academy of Sciencies, Moscow.
Sharpatyĭ
V A
VA
D003198:Computer Simulation; D004249:DNA Damage; D004277:DNA, Single-Stranded / Q000187:drug effects / Q000528:radiation effects*; D003855:Deoxyribose / Q000528:radiation effects*; D005609:Free Radicals; D009154:Mutation; D011837:Radiation-Protective Agents / Q000494:pharmacology*
D004277:DNA, Single-Stranded; D005609:Free Radicals; D011837:Radiation-Protective Agents; D003855:Deoxyribose
Effektivnost' radioprotektorov i gennye mutatsii pri povrezhdenii 2-dezoksiribozila. Komp'iuternoe modelirovanie.