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Title: Antioxidative capacity of evernic acid and its interactions with TDP1
Authors: Đorović Jovanović, Jelena
Jeremić O.
Manojlovic, Nedeljko
Milenkovic, Dejan
Marković, Zoran
Journal: Proceedings - 2019 IEEE 19th International Conference on Bioinformatics and Bioengineering, BIBE 2019
Issue Date: 1-Oct-2019
Abstract: © 2019 IEEE. The antioxidant activity of evernic acid acid was studied in the absence and in the present of free radical species. This in silico study was performed in water solvent, to mimic polar environment. The reaction enthalpies for reactions of evernic acid with three different free radicals are presented. The molecular docking study was performed in order to estimate the inhibition activity of investigated compound toward Human tyrosine-DNA phosphodiesterase (TDP1). The obtained results indicate that a numerous interactions determine the activity towards investigated protein. In addition, molecular dynamic simulation were done.
Type: Conference Paper
DOI: 10.1109/BIBE.2019.00019
SCOPUS: 85078574193
Appears in Collections:Faculty of Medical Sciences, Kragujevac
Institute for Information Technologies, Kragujevac
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