Mechanisms Underlying Antioxidant Potency of Bioactive Compounds
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".
Deadline for manuscript submissions: 20 February 2025 | Viewed by 3577
Special Issue Editors
Interests: computational chemistry; mechanisms of antioxidant activity; antiradical potential of polyphenolic compounds; DFT; molecular simulations; molecular docking
Special Issues, Collections and Topics in MDPI journals
Interests: food and health; bioactive compounds; polyphenols; cell culture and animal models; clinical trials; cardiovascular; cancer; inflammation
Special Issues, Collections and Topics in MDPI journals
Interests: synthesis and biological studies on anti-inflammatory and antioxidant agents, on inhibitors of enzymes implicated in the inflammation and in the coagulation process in general; correlation of inflammation with cancer; neurodegeneration; antioxidant activity; theoretical and experimental calculation of physicochemical parameters implicated in biological response; use of computational chemistry in drug design as well as bioactive compounds of natural origin, e.g., essential oils
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Bioactive compounds find application in many laboratories and are an integral part of research in universities, research institutes and industry due to their antioxidant activity in fighting against oxidative stress and illnesses caused by excess free radicals. With the growing number of studies on the antioxidant activity of bioactive compounds in a variety of fields (chemistry, biochemistry, pharmacology, etc.), there is an increasing need to elucidate the mechanisms underlying such activity. Despite the numerous studies on this topic, the actual mechanisms underlying antioxidant potency remain poorly understood. This Special Issue aims to provide an overview of significant research on the molecular mechanisms of natural bioactive compounds’ antioxidant potency using methods of computational chemistry. Both thermodynamic and kinetic studies play an important role in elucidating said mechanisms and thus in increasing the applicability of bioactive compounds with antioxidant activity to obtain their maximum effect. Existing and new mechanisms may also be compared in order to highlight the possibilities in this field.
Dr. Ana Amić
Dr. Antonio González-Sarrías
Prof. Dr. Dimitra Hadjipavlou-Litina
Guest Editors
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Keywords
- natural compounds
- radical scavenging
- antioxidant potency
- antioxidants
- free radicals
- reaction mechanisms
- functional groups
- ion chelation
- thermodynamics
- kinetics
- DFT
- computational chemistry
- molecular docking
- molecular modelling
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