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Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor
Kinesin is a biological molecular nanomotor which converts chemical energy into mechanical work. To fulfill various nanotechnological tasks in engineered environments, the function of biological molecular motors can be altered by artificial chemical modifications. The drawback of this approach is th...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6928163/ https://www.ncbi.nlm.nih.gov/pubmed/31873109 http://dx.doi.org/10.1038/s41598-019-56052-3 |
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author | Průša, Jiří Cifra, Michal |
author_facet | Průša, Jiří Cifra, Michal |
author_sort | Průša, Jiří |
collection | PubMed |
description | Kinesin is a biological molecular nanomotor which converts chemical energy into mechanical work. To fulfill various nanotechnological tasks in engineered environments, the function of biological molecular motors can be altered by artificial chemical modifications. The drawback of this approach is the necessity of designing and creating a new motor construct for every new task. We propose that intense nanosecond-scale pulsed electric field could modify the function of nanomotors. To explore this hypothesis, we performed molecular dynamics simulation of a kinesin motor domain docked on a subunit of its microtubule track - a single tubulin heterodimer. In the simulation, we exposed the kinesin motor domain to intense (100 MV/m) electric field up to 30 ns. We found that both the magnitude and angle of the kinesin dipole moment are affected. Furthermore, we found that the electric field affects contact surface area between kinesin and tubulin, the structure and dynamics of the functionally important kinesin segments, including microtubule binding motifs as well as nucleotide hydrolysis site which power the nanomotor. These findings indicate that external intense nanosecond-scale electric field could alter kinesin behavior. Our results contribute to developing novel electromagnetic methods for modulating the function of biomolecular matter at the nanoscale. |
format | Online Article Text |
id | pubmed-6928163 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-69281632019-12-27 Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor Průša, Jiří Cifra, Michal Sci Rep Article Kinesin is a biological molecular nanomotor which converts chemical energy into mechanical work. To fulfill various nanotechnological tasks in engineered environments, the function of biological molecular motors can be altered by artificial chemical modifications. The drawback of this approach is the necessity of designing and creating a new motor construct for every new task. We propose that intense nanosecond-scale pulsed electric field could modify the function of nanomotors. To explore this hypothesis, we performed molecular dynamics simulation of a kinesin motor domain docked on a subunit of its microtubule track - a single tubulin heterodimer. In the simulation, we exposed the kinesin motor domain to intense (100 MV/m) electric field up to 30 ns. We found that both the magnitude and angle of the kinesin dipole moment are affected. Furthermore, we found that the electric field affects contact surface area between kinesin and tubulin, the structure and dynamics of the functionally important kinesin segments, including microtubule binding motifs as well as nucleotide hydrolysis site which power the nanomotor. These findings indicate that external intense nanosecond-scale electric field could alter kinesin behavior. Our results contribute to developing novel electromagnetic methods for modulating the function of biomolecular matter at the nanoscale. Nature Publishing Group UK 2019-12-23 /pmc/articles/PMC6928163/ /pubmed/31873109 http://dx.doi.org/10.1038/s41598-019-56052-3 Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Průša, Jiří Cifra, Michal Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor |
title | Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor |
title_full | Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor |
title_fullStr | Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor |
title_full_unstemmed | Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor |
title_short | Molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor |
title_sort | molecular dynamics simulation of the nanosecond pulsed electric field effect on kinesin nanomotor |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6928163/ https://www.ncbi.nlm.nih.gov/pubmed/31873109 http://dx.doi.org/10.1038/s41598-019-56052-3 |
work_keys_str_mv | AT prusajiri moleculardynamicssimulationofthenanosecondpulsedelectricfieldeffectonkinesinnanomotor AT ciframichal moleculardynamicssimulationofthenanosecondpulsedelectricfieldeffectonkinesinnanomotor |