UDK: 678.048:577.33:616-007.29

Quantum-chemical prediction of the antiradical activity of 11-deoximisoprostol

R. M. Kataeva, E. F. Agletdinov, G. M. Latypova, V. A. Kataev, A. R. Khalimov, T. R. Gizatullin

Башкирский государственный медицинский университет, кафедра акушерства и гинекологии с курсом ИДПО, кафедра фармации ИДПО; АО «Вектор-Бест», г. Новосибирск; ГБУ «Уфимский НИИ глазных болезней» Академии Наук республики Башкортостан, научно-инновационное от

Abstract

The direct antiradical activity of ethyl ether (±) -11,15-dideoxy-16-methyl-16-hydroxyprostaglandin E1 (11-deoxyimisoprostol) was studied and characterized in the course of quantum-chemical calculations. Quantum-chemical calculations of the structure of 11-deoxyimisoprostol (11-DMP) and its radical derivatives with an unpaired electron at carbon atoms in 12 and 15 positions have been performed. When comparing Eb particles, it was found that the more stable structure is the R'DOMP12* radical. Based on the data obtained, it seems quite probable that 11-deoxyimisoprostol can potentially serve as a direct antioxidant capable of forming more stable and less reactive radicals than radicals-derivatives of polyunsaturated fatty acids (PUFAs) involved in free radical oxidation chain processes in the living systems.

Keywords

11-deoxyimisoprostol, quantum-chemical prediction, antiradical activity, free radical oxidation processes

Contacts