In vitro monoamine oxidase A and B inhibitory activity and molecular docking simulations of fucoxanthin

Abstract

Fucoxanthin is the primary carotenoid found in edible seaweeds, such as Eisenia bicyclis, Undaria pinnatifida, and others. The aim of this study was to determine the effectiveness of fucoxanthin against Parkinson’s disease (PD) by inhibiting monoamine oxidase (MAO) A and B because MAO inhibitors are used in early management of PD. A sensitive enzyme-based chemiluminescent assay and kinetics methods were used to investigate the enzyme inhibitory activities and mode of inhibition. A molecular docking simulation was performed to clarify the binding characteristics of fucoxanthin to hMAO-A (2z5x) and hMAO-B (2v5z). Our results suggest that fucoxanthin shows significant inhibitory activity against hMAO-A and hMAO-B with IC50 values of 197.41 ± 2.20 and 211.12 ± 1.17 μM, respectively. Selegiline was used as the positive control (IC50: 10.54 ± 1.25 and 0.128 ± 0.01 μM for hMAO-A and hMAO-B, respectively). The enzyme-based kinetics results demonstrated that fucoxanthin inhibited both hMAOs in a reversible competitive manner. The molecular docking simulation predicted that fucoxanthin exhibits higher binding affinity towards hMAO-A and hMAO-B through hydrogen bonding and hydrophobic interactions. These findings suggest that fucoxanthin is a reversible competitive hMAO inhibitor that could be used to manage PD.