Номер части:
Журнал
ISSN: 2411-6467 (Print)
ISSN: 2413-9335 (Online)
Статьи, опубликованные в журнале, представляется читателям на условиях свободной лицензии CC BY-ND

QUANTUM CHEMICAL STUDY OF THE REDUCTIVE ACTIVATION OF QUINONES BY ENZYME NQO1 (79-81)



Науки и перечень статей вошедших в журнал:
DOI: 10.31618/ESU.2413-9335.2019.1.67.346
Дата публикации статьи в журнале: 2019/11/18
Название журнала: Евразийский Союз Ученых, Выпуск: 67, Том: 1, Страницы в выпуске: 79-81
Автор: Sokolov Alexandr Andreevich
PhD, Science researcher, P.G. Demidov Yaroslavl State University ,
Автор: Begunov Roman Sergeevich
PhD, Science researcher, P.G. Demidov Yaroslavl State University ,
Автор: Sakulina Valeria Olegovna
postgraduate, P.G. Demidov Yaroslavl State University ,
Анотация: A quantum chemical modeling of the interaction of the NQO1 enzyme with a several quinones was carried out. The calculation of the geometric and energy parameters of the studied substrates was done. The potential energy surface of reduction of heterocyclic quinones by the enzyme was drawn. Relationships between structure of substrates and their binding strength with NQO1 were pointed out.
Ключевые слова: Quantum chemical calculations, semi-empirical methods,PM7,heterocyclic quinones,
Данные для цитирования: Sokolov Alexandr Andreevich Begunov Roman Sergeevich Sakulina Valeria Olegovna . QUANTUM CHEMICAL STUDY OF THE REDUCTIVE ACTIVATION OF QUINONES BY ENZYME NQO1 (79-81) // Евразийский Союз Ученых. Chemical sciences. 2019/11/18; 67(1):79-81. 10.31618/ESU.2413-9335.2019.1.67.346

Список литературы: 1. Colucci M.A., Couch G.D., Moody C.J. Natural and synthetic quinones and their reduction by the quinone reductase enzyme NQO1: from synthetic organic chemistry to compounds with anticancer potential // Org. Biomol. Chem. 2008. V.6. P. 637-656. 2. Parkinson E.I., Hergenrother P.J. Deoxynyboquinones as NQO1-Activated Cancer Therapeutics // Acc. Chem. Res. 2015. V. 48. P. 27152723. 3. Siegel D., Yan C., Ross D. NAD(P)H:quinone oxidoreductase 1 (NQO1) in the sensitivity and resistance to antitumor quinones // Biochem. Pharmacol. 2012. V.83. P. 1033-1040. 4. Fei Q., Zhou Li, Wang F., Shi B., Li C., Wang R., Zhao C. Rational construction of probes rendering ratiometric response to the cancer-specific enzyme NQO1 // Dyes and Pigments. 2017. V.136. P. 846-851.


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