Tubulin response to intense nanosecond-scale electric field in molecular dynamics simulation

0518300 - ÚFE 2020 RIV GB eng J - Journal Article
Marracino, P. - Havelka, Daniel - Průša, Jiří - Liberti, M. - Tuszyński, J.A. - Ayoub, A.T. - Apollonio, F. - Cifra, Michal
Tubulin response to intense nanosecond-scale electric field in molecular dynamics simulation.
Scientific Reports. Roč. 9, č. 1 (2019), č. článku 10477. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA ČR(CZ) GA17-11898S
Institutional support: RVO:67985882
Keywords : Electric fields * Molecular dynamics * Microwave heating
OECD category: Electrical and electronic engineering
Impact factor: 3.998, year: 2019
Method of publishing: Open access
https://www.nature.com/articles/s41598-019-46636-4.pdf?origin=ppub

Intense pulsed electric fields are known to act at the cell membrane level and are already being exploited in biomedical and biotechnological applications. However, it is not clear if electric pulses within biomedically-attainable parameters could directly influence intra-cellular components such as cytoskeletal proteins. If so, a molecular mechanism of action could be uncovered for therapeutic applications of such electric fields. To help clarify this question, we first identified that a tubulin heterodimer is a natural biological target for intense electric fields due to its exceptional electric properties and crucial roles played in cell division. Using molecular dynamics simulations, we then demonstrated that an intense - yet experimentally attainable - electric field of nanosecond duration can affect the b beta-tubulin's C-terminus conformations and also influence local electrostatic properties at the GTPase as well as the binding sites of major tubulin drugs site. Our results suggest that intense nanosecond electric pulses could be used for physical modulation of microtubule dynamics. Since a nanosecond pulsed electric field can penetrate the tissues and cellular membranes due to its broadband spectrum, our results are also potentially significant for the development of new therapeutic protocols
Permanent Link: http://hdl.handle.net/11104/0303460