Events7th International Electronic Conference on Medicinal Chemistry
Published
This submission belongs to the session S6. Round table on predictive tools of the event 7th International Electronic Conference on Medicinal Chemistry
Published date
03 Nov, 2021
Academic Editor
author-avatarJean Jacques Vanden Eynde
Citation
Ana Amić, Valentina Bumba, Antioxidant potential of selected phenolic acids – a theoretical approach, in Proceedings of 7th International Electronic Conference on Medicinal Chemistry, 1 November–30 November 2021, MDPI: Basel, Switzerland, doi: 10.3390/ECMC2021-11510
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Antioxidant potential of selected phenolic acids – a theoretical approach

Valentina Bumba 1
1. Josip Juraj Strossmayer University of Osijek, Department of Chemistry
2. Josip Juraj Strossmayer University of Osijek, Department of Chemistry, Croatia
Abstract

In the last several decades, antioxidants have become frequent subject of scientific investigations due to their role in oxidative stress and aetiology of various diseases. Antioxidants include a broad spectrum of mono- and polyphenolic compounds, such as phenolic acids, and also a significant number of synthetic polyphenolic compounds. In this work, an overview of theoretical research on antioxidant potential of selected phenolic acids was given. Adequate thermodynamic parameters which play the key role in selected mechanisms of antioxidant activity were also studied and a conclusion regarding antioxidant potential was drawn from this study. Additionally, results of studies of reactions of phenolic acids with free radicals were presented, and studied mechanisms were HAT, SET-PT, SPLET and RAF, in polar and non-polar medium. Based on the results of computed parameters, possible and competitive mechanisms were determined, as well as phenolic acids with higher antioxidant potential. This activity plays an important role in fighting against various chronic and age-related diseases, such as cardiovascular, neurodegenerative and some types of cancer.

Keywords
antioxidants
cancer
cardiovascular diseases
computational chemistry
neurodegenerative diseases
phenolic acids
Poster
bumba_amic-phenolic_acids.pdf
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