Inclusion complex of water-soluble arbutin with β-cyclodextrin: Computer modeling and experimental studies

A water-soluble arbutin was investigated for its potential to form an inclusion complex with β-cyclodextrin (β-CD). Molecular modeling tests confirmed that arbutin can be accommodated within the cavity of β-CD primarily through Van der Waals forces rather than electrostatic interactions. The structure of the arbutin-β-CD inclusion complex was characterized using Differential Scanning Calorimetry (DSC), and Proton Nuclear Magnetic Resonance Spectroscopy ( 1 H NMR). The inclusion complex prepared at a mole ratio of 1:1 (arbutin: β-CD) exhibited the highest encapsulation efficiency at 43.72%. The study findings affirm that encapsulation of arbutin within β-CD does not reduce its inherent antioxidant activity and its inhibitory effects against tyrosinase enzyme activity. Moreover, the complexation of arbutin with β-CD resulted in a notably slower release rate, indicating the role of β-CD in modulating substance release kinetics. Furthermore, encapsulation of arbutin within β-CD demonstrated a reduction in hydrolysis from arbutin to hydroquinone by Staphylococcus epidermidis , highlighting the potential of the inclusion complex to mitigate enzymatic conversion processes.