文章基本信息

标题：A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor
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作者：Tony Sumaryada ; Muhammad Sandy Gunawan ; Salahuddin Perdana 等
期刊名称：Biosensors
电子版ISSN：2079-6374
出版年度：2019
卷号：9
期号：1
页码：18-28
DOI：10.3390/bios9010018
出版社：MDPI Publishing
摘要：In this paper, we report the molecular docking study of graphene oxide and glucose oxidase (GOx) enzyme for a potential glucose biosensing application. The large surface area and good electrical properties have made graphene oxide as one of the best candidates for an enzyme immobilizer and transducer in the biosensing system. Our molecular docking results revealed that graphene oxide plays a role as a GOx enzyme immobilizer in the glucose biosensor system since it can spontaneously bind with GOx at specific regions separated from the active sites of glucose and not interfering or blocking the glucose sensing by GOx in an enzyme-assisted biosensor system. The strongest binding affinity of GOx-graphene oxide interaction is −11.6 kCal/mol and dominated by hydrophobic interaction. Other modes of interactions with a lower binding affinity have shown the existence of some hydrogen bonds (H-bonds). A possibility of direct sensing (interaction) model of glucose by graphene oxide (non-enzymatic sensing mechanism) was also studied in this paper, and showed a possible direct glucose sensing by graphene oxide through the H-bond interaction, even though with a much lower binding affinity of −4.2 kCal/mol. It was also found that in a direct glucose sensing mechanism, the sensing interaction can take place anywhere on the graphene oxide surface with almost similar binding affinity.
关键词：graphene oxide; biosensor; glucose oxidase; molecular docking; mesoscopic system graphene oxide ; biosensor ; glucose oxidase ; molecular docking ; mesoscopic system