Abstract

The aim of this study was to evaluate a computer-based method to find a new inhibitor for polyphenol oxidase (PPO) in banana, apple, and mushroom. First, the sequence of PPOs was separately obtained from Protein Data Bank, and their homology was investigated. Next, the same structure of their active site was found, and it was interacted with various phenolic and benzoic compounds by a molecular dynamic software. Moreover, the inhibition of enzymatic browning was also investigated at different laboratory conditions. This study showed that histidine�leucine�phenylalanine�histidine was in all types of PPOs. Also, molecular dynamic simulation showed that (3S)-2-(3,4-dihydroxyphenyl)-3,5,7-chromanetriol (DHPC) is the best compound to interact with PPOs. Based on experimental tests, DHPC had the highest efficacy at 4 °C. The decrease in inhibition of enzymatic browning was seen with the increase in temperature. Also, the decrease in pH led to increase in enzymatic browning. It could be concluded that DHPC is a good inhibitor for enzymatic browning. It seems that this compound can be used in different fruits and vegetables to inhibit enzymatic browning. © 2015, Islamic Azad University (IAU).