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Article

Docking Simulation and Sandwich Assay for Aptamer-Based Botulinum Neurotoxin Type C Detection

1
School of Biological Sciences, Chungbuk National University, 1 Chungdae-Ro, Seowon-Gu, Cheongju 28644, Korea
2
Department of Biological Sciences, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Korea
*
Authors to whom correspondence should be addressed.
These authors contributed equally to this work.
Biosensors 2020, 10(8), 98; https://doi.org/10.3390/bios10080098
Received: 22 July 2020 / Revised: 9 August 2020 / Accepted: 10 August 2020 / Published: 12 August 2020
(This article belongs to the Section Biosensor Materials)
Aptamers are biomaterials that bind to a target molecule through a unique structure, and have high applicability in the diagnostic and medical fields. To effectively utilize aptamers, it is important to analyze the structure of the aptamer binding to the target molecule; however, there are difficulties in experimentally identifying this structure. In the modern pharmaceutical industry, computer-driven docking simulations that predict intermolecular binding models are used to select candidates that effectively bind target molecules. Botulinum toxin (BoNT) is the most poisonous neurotoxin produced from the Clostridium botulinum bacteria, and BoNT/C, one of the eight serotypes, causes paralysis in livestock. In this study, the aptamers that bound to BoNT/C were screened via the systematic evolution of ligands by exponential enrichment, and the binding affinity analysis and binding model were evaluated to select optimal aptamers. Based on surface plasmon resonance analysis and molecular operating environment docking simulation, a pair of aptamers that had high binding affinity to BoNT/C and were bound to different BoNT/C sites were selected. A sandwich assay based on this aptamer pair detected the BoNT/C protein to a concentration as low as ~0.2 ng Ml−1. These results show that docking simulations are a useful strategy for screening aptamers that bind to specific targets. View Full-Text
Keywords: Botulinum neurotoxin type C; aptamer; docking simulation; aptamer-based sandwich assay Botulinum neurotoxin type C; aptamer; docking simulation; aptamer-based sandwich assay
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MDPI and ACS Style

Oh, I.-H.; Park, D.-Y.; Cha, J.-M.; Shin, W.-R.; Kim, J.H.; Kim, S.C.; Cho, B.-K.; Ahn, J.-Y.; Kim, Y.-H. Docking Simulation and Sandwich Assay for Aptamer-Based Botulinum Neurotoxin Type C Detection. Biosensors 2020, 10, 98. https://doi.org/10.3390/bios10080098

AMA Style

Oh I-H, Park D-Y, Cha J-M, Shin W-R, Kim JH, Kim SC, Cho B-K, Ahn J-Y, Kim Y-H. Docking Simulation and Sandwich Assay for Aptamer-Based Botulinum Neurotoxin Type C Detection. Biosensors. 2020; 10(8):98. https://doi.org/10.3390/bios10080098

Chicago/Turabian Style

Oh, In-Hwan, Dae-Young Park, Ji-Man Cha, Woo-Ri Shin, Ji Hun Kim, Sun Chang Kim, Byung-Kwan Cho, Ji-Young Ahn, and Yang-Hoon Kim. 2020. "Docking Simulation and Sandwich Assay for Aptamer-Based Botulinum Neurotoxin Type C Detection" Biosensors 10, no. 8: 98. https://doi.org/10.3390/bios10080098

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