Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.

Optical tweezers have enabled the exploration of picoNewton forces and dynamics in single-molecule systems such as DNA and molecular motors. In this work, we used optical tweezers to study the folding/unfolding dynamics of the APTSTX1-aptamer, a single-stranded DNA molecule with high affinity for sa...

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Main Authors: Nathalie Casanova-Morales, Nataniel L Figueroa, Karol Alfaro, Felipe Montenegro, Nelson P Barrera, J R Maze, Christian A M Wilson, Pablo Conejeros
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2019-01-01
Series:PLoS ONE
Online Access:https://doi.org/10.1371/journal.pone.0222468
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author Nathalie Casanova-Morales
Nataniel L Figueroa
Karol Alfaro
Felipe Montenegro
Nelson P Barrera
J R Maze
Christian A M Wilson
Pablo Conejeros
author_facet Nathalie Casanova-Morales
Nataniel L Figueroa
Karol Alfaro
Felipe Montenegro
Nelson P Barrera
J R Maze
Christian A M Wilson
Pablo Conejeros
author_sort Nathalie Casanova-Morales
collection DOAJ
description Optical tweezers have enabled the exploration of picoNewton forces and dynamics in single-molecule systems such as DNA and molecular motors. In this work, we used optical tweezers to study the folding/unfolding dynamics of the APTSTX1-aptamer, a single-stranded DNA molecule with high affinity for saxitoxin (STX), a lethal neurotoxin. By measuring the transition force during (un)folding processes, we were able to characterize and distinguish the conformational changes of this aptamer in the presence of magnesium ions and toxin. This work was supported by molecular dynamics (MD) simulations to propose an unfolding mechanism of the aptamer-Mg+2 complex. Our results are a step towards the development of new aptamer-based STX sensors that are potentially cheaper and more sensitive than current alternatives.
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spelling doaj.art-f75c65a98e01433db7ef3eb8de7d4faa2022-12-21T17:34:25ZengPublic Library of Science (PLoS)PLoS ONE1932-62032019-01-011411e022246810.1371/journal.pone.0222468Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.Nathalie Casanova-MoralesNataniel L FigueroaKarol AlfaroFelipe MontenegroNelson P BarreraJ R MazeChristian A M WilsonPablo ConejerosOptical tweezers have enabled the exploration of picoNewton forces and dynamics in single-molecule systems such as DNA and molecular motors. In this work, we used optical tweezers to study the folding/unfolding dynamics of the APTSTX1-aptamer, a single-stranded DNA molecule with high affinity for saxitoxin (STX), a lethal neurotoxin. By measuring the transition force during (un)folding processes, we were able to characterize and distinguish the conformational changes of this aptamer in the presence of magnesium ions and toxin. This work was supported by molecular dynamics (MD) simulations to propose an unfolding mechanism of the aptamer-Mg+2 complex. Our results are a step towards the development of new aptamer-based STX sensors that are potentially cheaper and more sensitive than current alternatives.https://doi.org/10.1371/journal.pone.0222468
spellingShingle Nathalie Casanova-Morales
Nataniel L Figueroa
Karol Alfaro
Felipe Montenegro
Nelson P Barrera
J R Maze
Christian A M Wilson
Pablo Conejeros
Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.
PLoS ONE
title Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.
title_full Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.
title_fullStr Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.
title_full_unstemmed Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.
title_short Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations.
title_sort structural characterization of the saxitoxin targeting aptstx1 aptamer using optical tweezers and molecular dynamics simulations
url https://doi.org/10.1371/journal.pone.0222468
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