The effects of acrylamide on brain creatine kinase: Inhibition kinetics and computational docking simulation

publication · 8 years ago
by Zhi-Rong Lu, He-Chang Zou, Seong Jin Park, Daeui Park, Long Shi, Sang Ho Oh, Yong-Doo Park, Jong Bhak, Fei Zou (Southern Medical University, Korean BioInformation Center)
The occurrence of acrylamide is frequently observed in processed foods. Therefore, the harmful effects of acrylamide on metabolic enzymes are important to understand. We studied the inhibitory effects of acrylamide on the brain creatine kinase (CK-BB). We found that CK-BB was kinetically inactivated by acrylamide accompanied by the disruption of the hydrophobic surface. Acrylamide mainly interacted with the thiol (–SH) residue of CK-BB and resulted in alkylation. A computational docking simulation supported that acrylamide directly bound to the active site of CK-BB where cysteine and glycine residues interacted mainly. The inhibition kinetics combined with computational prediction can be useful in order to have insights into the mechanisms regarding environmentally hazardous factors at the molecular level.
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