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

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 transduce...

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Autores principales: Sumaryada, Tony, Sandy Gunawan, Muhammad, Perdana, Salahuddin, Arjo, Sugianto, Maddu, Akhiruddin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6468508/
https://www.ncbi.nlm.nih.gov/pubmed/30696069
http://dx.doi.org/10.3390/bios9010018
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author Sumaryada, Tony
Sandy Gunawan, Muhammad
Perdana, Salahuddin
Arjo, Sugianto
Maddu, Akhiruddin
author_facet Sumaryada, Tony
Sandy Gunawan, Muhammad
Perdana, Salahuddin
Arjo, Sugianto
Maddu, Akhiruddin
author_sort Sumaryada, Tony
collection PubMed
description 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.
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spelling pubmed-64685082019-04-23 A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor Sumaryada, Tony Sandy Gunawan, Muhammad Perdana, Salahuddin Arjo, Sugianto Maddu, Akhiruddin Biosensors (Basel) Article 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. MDPI 2019-01-28 /pmc/articles/PMC6468508/ /pubmed/30696069 http://dx.doi.org/10.3390/bios9010018 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Sumaryada, Tony
Sandy Gunawan, Muhammad
Perdana, Salahuddin
Arjo, Sugianto
Maddu, Akhiruddin
A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor
title A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor
title_full A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor
title_fullStr A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor
title_full_unstemmed A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor
title_short A Molecular Interaction Analysis Reveals the Possible Roles of Graphene Oxide in a Glucose Biosensor
title_sort molecular interaction analysis reveals the possible roles of graphene oxide in a glucose biosensor
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6468508/
https://www.ncbi.nlm.nih.gov/pubmed/30696069
http://dx.doi.org/10.3390/bios9010018
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