2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (423-426)
АУТОР(И) / AUTHOR(S): Marija R. Popović-Nikolić, Katarina Nikolić, Mara Aleksić
Е-АДРЕСА / E-MAIL: majap@pharmacy.bg.ac.rs
DOI: 10.46793/ICCBI23.423PN
САЖЕТАК / ABSTRACT:
The redox properties of two quinoxaline derivatives, brimonidine and varenicline, previously studied electrochemically, were evaluated by performing a computational study. On the basis of some useful quantum chemical parameters the differences and similarities between their redox features were explained. The obtained results support the experimental findings that the redox processes of both compounds are under strong influence of the solution pH, whereas the reduction of brimonidine occurs easier than the reduction of varenicline, at corresponding pH values.
КЉУЧНЕ РЕЧИ / KEYWORDS:
brimonidine, varenicline, redox process, molecular orbital energy, quantum chemical parameters
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