Akademik Veri Yönetim Sistemi
FEBS OPEN BIO, sa.15, ss.490, 2025 (SCI-Expanded, Scopus)
The aim of this study is to evaluate the antioxidant properties of phenolic compounds hesperidin, salicylic acid and 5-fluoro salicylic acid by in vitro and in silico analyses. 5-Fluoro salicylic acid, one of the selected compounds, is an analogue of salicylic acid. In in vitro analyses, the reducing capacity and radical scavenging activities (DPPH and hydroxyl radical scavenging activity) of the compounds were measured and the binding affinities of these compounds to some of the enzymes in the antioxidant system were analyzed by in silico modeling. COX-1 and COX-2 indirectly contribute to oxidative stress by generating reactive oxygen species (ROS). In silico results showed hesperidin as the most effective COX-1 and COX-2 inhibitor. Superoxide dismutase (SOD), a crucial antioxidant enzyme, must increase under oxidative stress to maintain cellular functions. Hesperidin exhibited the highest SOD activation, while salicylic acid and 5f luoro salicylic acid also enhanced SOD activity without significant differences between them. Catalase (CAT), which decomposes hydrogen peroxide into water and oxygen, was activated by salicylic acid and 5-fluoro salicylic acid, but hesperidin, due to its larger structure, could not bind to its active site. In vitro evaluations performed in parallel with in silico analyses also determined that hesperidin was the best radical scavenger. While phenolic compounds are known antioxidants, their mechanisms remain partially unexplored. This study highlights hesperidin’s superior inhibitory and activating effects on COX-1, COX-2, and SOD, whereas salicylic acid and 5-fluoro salicylic acid mainly activated SOD and CAT. Overall, hesperidin demonstrated the strongest antioxidant potential, suggesting its relevance for targeted antioxidant therapies in oxidative stress-related diseases.