Тип публикации: статья из журнала
Год издания: 2023
Идентификатор DOI: 10.1007/s11094-024-03025-0
Ключевые слова: pharmacokinetic descriptors, x-ray diffraction analysis, powder X-ray diffraction, N-substituted pyrimidin-6(1H)-one, cyclocondensation, styrylation, SARS-Cov-2 protease inhibitors, pharmacy, Pharmacology/toxicology, organic chemistry
Аннотация: The use of the 5-phenyl-1H-pyrimidin-6-one scaffold in the search for biologically active compounds with antiviral activity based on the pyrimidin-4-one core present in endogenous substances and drugs was substantiated. The molecular activity and pharmacokinetic descriptors for styryl derivatives of N-substituted 5-phenyl-1H-pyrimiПоказать полностьюdin-6-one were predicted in silico via the SwissADME web service. The lack of crystallographic data and information about the tautomeric form of 2,4-dimethyl-5-phenyl-1H-pyrimidin-6-one necessitated the measurement and analysis of x-ray diffraction patterns of the starting substance to explain the reactivity in the styrylation reaction. New derivatives of 5-phenyl-2-[(E)-styryl]-1H-pyrimidin-6-one were synthesized. Studies of their inhibitory activity toward SARS-CoV-2 major (Mpro) and papain-like proteases (PLpro) revealed their marked antiviral activity.
Журнал: Pharmaceutical Chemistry Journal
Выпуск журнала: Т. 57, № 8
Номера страниц: 1189-1196
ISSN журнала: 0091150X
Место издания: Москва
Издатель: Springer New York Consultants Bureau