Inhibitory mechanism of epicatechin gallate on tyrosinase: inhibitory interaction, conformational change and computational simulation
作者： Xin Song , Xing Hu , Ying Zhang , Junhui Pan , Deming Gong
DOI: 10.1039/D0FO00003E
关键词:
摘要: The inhibition mechanism of epicatechin gallate (ECG) on tyrosinase was investigated by multispectroscopic techniques combined with molecular docking and molecular dynamics simulation. The results demonstrated that ECG suppressed the activity of tyrosinase in a reversible mixed-inhibition with a half inhibitory concentration (IC50) of (1.13±0.82)× 10− 5 mol L− 1. Binding of ECG to tyrosinase led to the formation of a complex with the binding constant (Ksv) of 4.03× 104 L mol− 1 at 298 K which was stabilized by hydrophobic forces …
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