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...
Main Authors: | , , , , , , , |
---|---|
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 |
_version_ | 1819259619254468608 |
---|---|
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. |
first_indexed | 2024-12-23T19:12:53Z |
format | Article |
id | doaj.art-f75c65a98e01433db7ef3eb8de7d4faa |
institution | Directory Open Access Journal |
issn | 1932-6203 |
language | English |
last_indexed | 2024-12-23T19:12:53Z |
publishDate | 2019-01-01 |
publisher | Public Library of Science (PLoS) |
record_format | Article |
series | PLoS ONE |
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 |
work_keys_str_mv | AT nathaliecasanovamorales structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations AT nataniellfigueroa structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations AT karolalfaro structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations AT felipemontenegro structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations AT nelsonpbarrera structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations AT jrmaze structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations AT christianamwilson structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations AT pabloconejeros structuralcharacterizationofthesaxitoxintargetingaptstx1aptamerusingopticaltweezersandmoleculardynamicssimulations |