Electro-opening of a microtubule lattice in silico

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985823%3A_____%2F21%3A00550975" target="_blank" >RIV/67985823:_____/21:00550975 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/67985882:_____/21:00543296

Výsledek na webu

<a href="https://doi.org/10.1016/j.csbj.2021.02.007" target="_blank" >https://doi.org/10.1016/j.csbj.2021.02.007</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.csbj.2021.02.007" target="_blank" >10.1016/j.csbj.2021.02.007</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electro-opening of a microtubule lattice in silico

Popis výsledku v původním jazyce

Modulation of the structure and function of biomaterials is essential for advancing bio-nanotechnology and biomedicine. Microtubules (MTs) are self-assembled protein polymers that are essential for fundamental cellular processes and key model compounds for the design of active bio-nanomaterials. In this in silico study, a 0.5 μs-long all-atom molecular dynamics simulation of a complete MT with approximately 1.2 million atoms in the system indicated that a nanosecond-scale intense electric field can induce the longitudinal opening of the cylindrical shell of the MT lattice, modifying the structure of the MT. This effect is field-strength- and temperature-dependent and occurs on the cathode side. A model was formulated to explain the opening on the cathode side, which resulted from an electric-field-induced imbalance between electric torque on tubulin dipoles and cohesive forces between tubulin heterodimers. Our results open new avenues for electromagnetic modulation of biological and artificial materials through action on noncovalent molecular interactions.

Název v anglickém jazyce

Electro-opening of a microtubule lattice in silico

Popis výsledku anglicky

Modulation of the structure and function of biomaterials is essential for advancing bio-nanotechnology and biomedicine. Microtubules (MTs) are self-assembled protein polymers that are essential for fundamental cellular processes and key model compounds for the design of active bio-nanomaterials. In this in silico study, a 0.5 μs-long all-atom molecular dynamics simulation of a complete MT with approximately 1.2 million atoms in the system indicated that a nanosecond-scale intense electric field can induce the longitudinal opening of the cylindrical shell of the MT lattice, modifying the structure of the MT. This effect is field-strength- and temperature-dependent and occurs on the cathode side. A model was formulated to explain the opening on the cathode side, which resulted from an electric-field-induced imbalance between electric torque on tubulin dipoles and cohesive forces between tubulin heterodimers. Our results open new avenues for electromagnetic modulation of biological and artificial materials through action on noncovalent molecular interactions.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

30103 - Neurosciences (including psychophysiology)

Projekt

<a href="/cs/project/GX20-06873X" target="_blank" >GX20-06873X: SubTHz chipová zařízení pro řízení proteinových nanopřístrojů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Computational and Structural Biotechnology Journal

ISSN

2001-0370

e-ISSN

2001-0370

Svazek periodika

19

Číslo periodika v rámci svazku

Mar 4

Stát vydavatele periodika

SE - Švédské království

Počet stran výsledku

9

Strana od-do

1488-1496

Kód UT WoS článku

000684840700020

EID výsledku v databázi Scopus

2-s2.0-85102655211