The effects of acrylamide on brain creatine kinase: inhibition kinetics and computational docking simulation.
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.
Lü
Zhi-Rong
ZR
Department of Environmental Health, School of Public Health and Tropical Medicine, Southern Medical University, Guangzhou 510515, PR China.
Zou
He-Chang
HC
Park
Seong Jin
SJ
Park
Daeui
D
Shi
Long
L
Oh
Sang Ho
SH
Park
Yong-Doo
YD
Bhak
Jong
J
Zou
Fei
F
D020106:Acrylamide / Q000494:pharmacology*; D000478:Alkylation / Q000187:drug effects; D000818:Animals; D003198:Computer Simulation; D052276:Creatine Kinase, BB Form / Q000037:antagonists & inhibitors* / Q000737:chemistry; D004789:Enzyme Activation / Q000187:drug effects; D057927:Hydrophobic and Hydrophilic Interactions; D007700:Kinetics; D008958:Models, Molecular; D011817:Rabbits; D013438:Sulfhydryl Compounds / Q000378:metabolism; D013499:Surface Properties / Q000187:drug effects
D013438:Sulfhydryl Compounds; D020106:Acrylamide; D052276:Creatine Kinase, BB Form