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Biosensors 2019, 9(1), 18;

A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor

Department of Physics, Bogor Agricultural University, Bogor 16680, Indonesia
Program Studi Pendidikan Fisika, FKIP, Universitas HAMKA, Jakarta 13830, Indonesia
Author to whom correspondence should be addressed.
Received: 26 December 2018 / Revised: 22 January 2019 / Accepted: 24 January 2019 / Published: 28 January 2019
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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. View Full-Text
Keywords: graphene oxide; biosensor; glucose oxidase; molecular docking; mesoscopic system graphene oxide; biosensor; glucose oxidase; molecular docking; mesoscopic system

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Sumaryada, T.; Sandy Gunawan, M.; Perdana, S.; Arjo, S.; Maddu, A. A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor. Biosensors 2019, 9, 18.

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