Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations†
Abstract
An unambiguous picture of the interaction between the inhibitor kojic acid and a model of the dicopper active site of tyrosinase is reported. The observed binding mode probed on bacterial enzyme is confirmed and further refined by QM/MM calculations.
- This article is part of the themed collection: Biological oxidation reactions: mechanisms and design of new catalysts