Abstract
Glucose oxidase (GOx) is one of the most widely investigated enzymes in the field of bioelectrochemistry. It is mainly used for the detection of glucose in solutions and enzyme-based biofuel cells. On the basis of the combination of GOx with graphene, novel nanodevices exceeding conventional limits can be developed. To develop a hybrid enzyme-graphene nanodevice with a good performance, it is important that GOx is deposited well on the graphene surface while maintaining its structure and not impeding the oxidation activity of the GOx. In this study, we propose a method to improve the stability of GOx and secure its immobility on the graphene sheet and its glucose-binding affinity by single-point mutation of GOx using molecular dynamics simulations. We confirm that the structural stability, immobility, and substrate binding affinity of GOx can be modified by changing the hydrophobicity of a key residue. We demonstrate that biosensors or biofuel cells can be redesigned and their properties can be improved by using molecular dynamics simulation.
Original language | English |
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Pages (from-to) | 1899-1908 |
Number of pages | 10 |
Journal | ACS Biomaterials Science and Engineering |
Volume | 6 |
Issue number | 4 |
DOIs | |
Publication status | Published - 2020 Apr 13 |
Bibliographical note
Funding Information:This study was supported by the National Research Foundation of Korea (NRF) under grant number NRF-2019R1A2C1086103 and funded by the Ministry of Science, ICT & Future Planning.
Publisher Copyright:
© 2020 American Chemical Society.
Keywords
- glucose oxidase
- glucose sensor
- graphene
- molecular dynamics
- protein design
ASJC Scopus subject areas
- Biomaterials
- Biomedical Engineering