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Food Chemistry

Food Chemistry

IF: 8.5
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Discovering the antioxidant properties and interaction mechanisms of rosmarinic acid and kaempferol with grass carp hemoglobin: An experimental studies and molecular simulations perspective

Published:28 November 2024 DOI: 10.1016/j.foodchem.2024.142180
Hui Zhu, Zeru Xu, Youming Liu

Abstract

The effects of rosmarinic acid (RA) and kaempferol (KMP) on the pro-oxidant capacity of grass carp hemoglobin (Hb) and their interaction mechanisms were explored. Results revealed that in the 0.05–0.2?mg/mL range, RA exhibited superior inhibition of free iron release from Hb. Moreover, the fluorescence mechanism of Hb by RA/KMP was static quenching, and thermodynamic parameters inferred that Hb and RA/KMP spontaneously formed relatively stable complexes facilitated by hydrogen bonding and van der Waals forces. The structural analysis indicated that the interaction of RA/KMP changed the secondary structure of Hb. Besides, molecular docking illustrated that the lowest binding affinity of Hb-RA (?8.799?kcal/mol)?>?Hb-KMP (?8.626?kcal/mol) exhibited a stronger interaction between Hb and RA. Molecular dynamic simulations further demonstrated that adding RA was more favorable for complex formation. Overall, the interaction between Hb and polyphenols provided valuable insights for selecting antioxidants in freshwater fish preservation.

Substances (2)

Materials
Procduct Name CAS Molecular Formula Supplier Price
Kaempferol 520-18-3 C15H10O6 601 suppliers $7.00-$2000.00
Rosmarinic acid 20283-92-5 C18H16O8 565 suppliers $17.00-$1187.20

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