Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates

Abstract The chemobiomechanical signatures of diseased cells are often distinctively different from that of healthy cells. This mainly arises from cellular structural/compositional alterations induced by disease development or therapeutic molecules. Therapeutic shock waves have the potential to mech...

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Autores principales:	Lili Zhang, Zesheng Zhang, John Jasa, Dongli Li, Robin O. Cleveland, Mehrdad Negahban, Antoine Jérusalem
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/ae50335aa76d463a9068777616028fea
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spelling	oai:doaj.org-article:ae50335aa76d463a9068777616028fea2021-12-02T12:30:12ZMolecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates10.1038/s41598-017-06827-32045-2322https://doaj.org/article/ae50335aa76d463a9068777616028fea2017-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-06827-3https://doaj.org/toc/2045-2322Abstract The chemobiomechanical signatures of diseased cells are often distinctively different from that of healthy cells. This mainly arises from cellular structural/compositional alterations induced by disease development or therapeutic molecules. Therapeutic shock waves have the potential to mechanically destroy diseased cells and/or increase cell membrane permeability for drug delivery. However, the biomolecular mechanisms by which shock waves interact with diseased and healthy cellular components remain largely unknown. By integrating atomistic simulations with a novel multiscale numerical framework, this work provides new biomolecular mechanistic perspectives through which many mechanosensitive cellular processes could be quantitatively characterised. Here we examine the biomechanical responses of the chosen representative membrane complexes under rapid mechanical loadings pertinent to therapeutic shock wave conditions. We find that their rupture characteristics do not exhibit significant sensitivity to the applied strain rates. Furthermore, we show that the embedded rigid inclusions markedly facilitate stretch-induced membrane disruptions while mechanically stiffening the associated complexes under the applied membrane stretches. Our results suggest that the presence of rigid molecules in cellular membranes could serve as “mechanical catalysts” to promote the mechanical destructions of the associated complexes, which, in concert with other biochemical/medical considerations, should provide beneficial information for future biomechanical-mediated therapeutics.Lili ZhangZesheng ZhangJohn JasaDongli LiRobin O. ClevelandMehrdad NegahbanAntoine JérusalemNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-12 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Lili Zhang Zesheng Zhang John Jasa Dongli Li Robin O. Cleveland Mehrdad Negahban Antoine Jérusalem Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates
description	Abstract The chemobiomechanical signatures of diseased cells are often distinctively different from that of healthy cells. This mainly arises from cellular structural/compositional alterations induced by disease development or therapeutic molecules. Therapeutic shock waves have the potential to mechanically destroy diseased cells and/or increase cell membrane permeability for drug delivery. However, the biomolecular mechanisms by which shock waves interact with diseased and healthy cellular components remain largely unknown. By integrating atomistic simulations with a novel multiscale numerical framework, this work provides new biomolecular mechanistic perspectives through which many mechanosensitive cellular processes could be quantitatively characterised. Here we examine the biomechanical responses of the chosen representative membrane complexes under rapid mechanical loadings pertinent to therapeutic shock wave conditions. We find that their rupture characteristics do not exhibit significant sensitivity to the applied strain rates. Furthermore, we show that the embedded rigid inclusions markedly facilitate stretch-induced membrane disruptions while mechanically stiffening the associated complexes under the applied membrane stretches. Our results suggest that the presence of rigid molecules in cellular membranes could serve as “mechanical catalysts” to promote the mechanical destructions of the associated complexes, which, in concert with other biochemical/medical considerations, should provide beneficial information for future biomechanical-mediated therapeutics.
format	article
author	Lili Zhang Zesheng Zhang John Jasa Dongli Li Robin O. Cleveland Mehrdad Negahban Antoine Jérusalem
author_facet	Lili Zhang Zesheng Zhang John Jasa Dongli Li Robin O. Cleveland Mehrdad Negahban Antoine Jérusalem
author_sort	Lili Zhang
title	Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates
title_short	Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates
title_full	Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates
title_fullStr	Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates
title_full_unstemmed	Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates
title_sort	molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/ae50335aa76d463a9068777616028fea
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Molecular dynamics simulations of heterogeneous cell membranes in response to uniaxial membrane stretches at high loading rates

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