TY - JOUR
T1 - Structural characterization of the saxitoxin-targeting APTSTX1 aptamer using optical tweezers and molecular dynamics simulations
AU - Casanova-Morales, Nathalie
AU - Figueroa, Nataniel L.
AU - Alfaro, Karol
AU - Montenegro, Felipe
AU - Barrera, Nelson P.
AU - Maze, J. R.
AU - Wilson, Christian A.M.
AU - Conejeros, Pablo
N1 - Publisher Copyright:
© 2019 Casanova-Morales et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
PY - 2019/11/1
Y1 - 2019/11/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85074658811&partnerID=8YFLogxK
U2 - 10.1371/journal.pone.0222468
DO - 10.1371/journal.pone.0222468
M3 - Article
C2 - 31697710
AN - SCOPUS:85074658811
SN - 1932-6203
VL - 14
JO - PLoS ONE
JF - PLoS ONE
IS - 11
M1 - e0222468
ER -