Antioxidative capacity of evernic acid and its interactions with TDP1

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Назив:	Antioxidative capacity of evernic acid and its interactions with TDP1
Аутори:	Đorović Jovanović, Jelena Jeremić O. Manojlovic, Nedeljko Milenkovic, Dejan Marković, Zoran
Датум издавања:	2019
Сажетак:	© 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.
URI:	https://scidar.kg.ac.rs/handle/123456789/10802
Тип:	conferenceObject
DOI:	10.1109/BIBE.2019.00019
SCOPUS:	2-s2.0-85078574193
Налази се у колекцијама:	Faculty of Medical Sciences, Kragujevac Institute for Information Technologies, Kragujevac