Kinetics, Fluorescence Spectroscopy Analysis and Molecular Docking of Tyrosinase Inhibition by Ellagic Acid

Abstract

Abstract: In this experiment, the inhibition kinetics and fluorescence spectroscopy combined with molecular docking simulation techniques were used to systematically investigate the inhibitory effect and mechanism of EA on tyrosinase, using mushroom tyrosinase as the target site. In vitro studies and kinetic results showed that EA significantly inhibited tyrosinase activity (IC50 = 0.05 mg/mL) in a reversible mixed inhibition manner with binding constants KI < KIS, indicating that EA bound more tightly to the free enzyme than to the enzyme-substrate complex. Fluorescence spectroscopy burst analysis showed that there was a static burst interaction between EA and tyrosinase, and the two combined to generate the complex through a spontaneous heat absorption process, with the main force being hydrophobic and only one or one class of binding sites. Simultaneous and three-dimensional fluorescence spectroscopy analysis showed that EA increased the polarity of the tyrosinase microenvironment, decreased the hydrophobicity, and brought the Trp residue of tyrosinase closer to the binding site. Molecular docking simulation analysis further complemented and validated the above experimental results by showing visually that EA was a mixed type of tyrosinase inhibition, with EA binding to the free enzyme or enzyme-substrate complex, mainly through hydrophobic forces and hydrogen bonding, ultimately leading to reduced enzyme activity. This study has some reference significance for the use of EA as a preservative in the food industry.

Key words: mushroom tyrosinase, ellagic acid, spectroscopic analysis, inhibition mechanism, molecular docking

CLC Number:

TS201.2

Dan NI yu-lian ashleyTANG. Kinetics, Fluorescence Spectroscopy Analysis and Molecular Docking of Tyrosinase Inhibition by Ellagic Acid[J]. FOOD SCIENCE, 0, (): 0-0.

References

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