Destabilization of glucose oxidase by increasing concentration of ionic liquid: Insight from molecular dynamics simulation
کد مقاله : 1225-PHYSCHEM20
فاطمه جنتی فرد *1، فاطمه جنتی فرد2، محمد رضا حسین دخت3، حسن منهمی4
1دانشگاه فردوسی-دانشکده علوم پایه
2دانشگاه فردوسی
3عضو هیئت علمی دانشکده علوم- دانشگاه فردوسی مشهد
4دانشگاه فردوسی مشهد-دانشکده علوم پایه
چکیده مقاله:
Ionic liquid (IL) containing solvents can change the structure, dynamics and stability of proteins. In order to investigate the mechanism by which ILs induce structural changes in a large multimeric protein, we studied the interactions of glucose oxidase (GOx) with two different concentration of IL, 1-ethyl-3-methylimidazolium bromide. Molecular dynamics simulations showed that enzyme has an unstable conformation at higher IL concentration. It was found that IL, at higher concentration, reduces intermolecular hydrogen bond and unfold enzyme structure. To the best of our knowledge, this is the first study that bears detailed structural mechanism about the IL effects on glucose oxidase.
کلیدواژه ها:
Glucose oxidase; Ionic liquid; Molecular dynamics simulation
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