Binding mechanisms between lycopene extracted from tomato peels and bovine β-lactoglobulin

摘要: Abstract Fluorescence spectroscopy and computational methods were used to study the interaction mechanism between lycopene extracted from tomato peels bovine β-lactoglobulin (β-LG). The chromatographic analysis of extract allowed identification quantification nineteen carotenoids, with representing approximately 72% total carotenoids in extract. β-LG fluorescence has been regularly quenched upon increasing concentration, suggesting formation complex, whereas a dynamic quenching process was highlighted. thermodynamic parameters suggested that interactions protein ligand are driven by van der Waals’ force hydrogen bonding. Molecular docking employed find out details on binding molecule equilibrated means molecular dynamics at different temperatures. key assuring – complex varied temperature. When heated mild temperatures, found bind top calyx, due conformational changes enabled thermal treatment 90 °C, most favorable site involved amino acids responsible for stabilizing dimmer.