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Docking Simulation and Sandwich Assay for Aptamer-Based Botulinum Neurotoxin Type C Detection
- Source :
- Biosensors, Volume 10, Issue 8, Biosensors, Vol 10, Iss 98, p 98 (2020)
- Publication Year :
- 2020
- Publisher :
- MDPI AG, 2020.
-
Abstract
- 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<br />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&minus<br />1. These results show that docking simulations are a useful strategy for screening aptamers that bind to specific targets.
- Subjects :
- Botulinum Toxins
lcsh:Biotechnology
Aptamer
Clinical Biochemistry
02 engineering and technology
medicine.disease_cause
Article
03 medical and health sciences
C protein
docking simulation
lcsh:TP248.13-248.65
medicine
Surface plasmon resonance
030304 developmental biology
0303 health sciences
Chemistry
aptamer
General Medicine
Aptamers, Nucleotide
Surface Plasmon Resonance
021001 nanoscience & nanotechnology
Combinatorial chemistry
Botulinum neurotoxin
Molecular Docking Simulation
Docking (molecular)
Botulinum neurotoxin type C
aptamer-based sandwich assay
Clostridium botulinum
Biological Assay
0210 nano-technology
Systematic evolution of ligands by exponential enrichment
Subjects
Details
- ISSN :
- 20796374
- Volume :
- 10
- Database :
- OpenAIRE
- Journal :
- Biosensors
- Accession number :
- edsair.doi.dedup.....eaf7a550499c3966ef0516133ac27662