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Membrane vesiculati...
Membrane vesiculation induced by proteins of the dengue virus envelope studied by molecular dynamics simulations
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- dos Santos Soares, Ricardo de Oliveira (författare)
- Fac Med Marilia, Marilia, Brazil.
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- Bortot, Leandro Oliveira (författare)
- Univ Sao Paulo, Fac Ciencias Farmaceut Ribeirao Preto, Dept Fis & Quim, Grp Fis Biol, Ribeirao Preto, Brazil.
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- van Der Spoel, David (författare)
- Uppsala universitet,Beräkningsbiologi och bioinformatik,Science for Life Laboratory, SciLifeLab
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- Caliri, Antonio (författare)
- Univ Sao Paulo, Fac Ciencias Farmaceut Ribeirao Preto, Dept Fis & Quim, Grp Fis Biol, Ribeirao Preto, Brazil.
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Fac Med Marilia, Marilia, Brazil Univ Sao Paulo, Fac Ciencias Farmaceut Ribeirao Preto, Dept Fis & Quim, Grp Fis Biol, Ribeirao Preto, Brazil. (creator_code:org_t)
- Institute of Physics Publishing (IOPP), 2017
- 2017
- Engelska.
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 29:50
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Biological membranes are continuously remodeled in the cell by specific membrane-shaping machineries to form, for example, tubes and vesicles. We examine fundamental mechanisms involved in the vesiculation processes induced by a cluster of envelope (E) and membrane (M) proteins of the dengue virus (DENV) using molecular dynamics simulations and a coarse-grained model. We show that an arrangement of three E-M heterotetramers (EM3) works as a bending unit and an ordered cluster of five such units generates a closed vesicle, reminiscent of the virus budding process. In silico mutagenesis of two charged residues of the anchor helices of the envelope proteins of DENV shows that Arg-471 and Arg-60 are fundamental to produce bending stress on the membrane. The fine-tuning between the size of the EM3 unit and its specific bending action suggests this protein unit is an important factor in determining the viral particle size.
Ämnesord
- NATURVETENSKAP -- Biologi -- Biofysik (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences -- Biophysics (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- dengue
- virus
- simulation
- GROMACS
- envelope
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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