Molecular architecture of SARS-CoV-2 envelope by integrative modeling

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Molecular architecture of SARS-CoV-2 envelope by integrative modeling. / Pezeshkian, Weria.

I: bioRxiv, 15.09.2021.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning

Harvard

Pezeshkian, W 2021, 'Molecular architecture of SARS-CoV-2 envelope by integrative modeling', bioRxiv. https://doi.org/10.1101/2021.09.15.459697

APA

Pezeshkian, W. (2021). Molecular architecture of SARS-CoV-2 envelope by integrative modeling. bioRxiv. https://doi.org/10.1101/2021.09.15.459697

Vancouver

Pezeshkian W. Molecular architecture of SARS-CoV-2 envelope by integrative modeling. bioRxiv. 2021 sep. 15. https://doi.org/10.1101/2021.09.15.459697

Author

Pezeshkian, Weria. / Molecular architecture of SARS-CoV-2 envelope by integrative modeling. I: bioRxiv. 2021.

Bibtex

@article{e51739fd500545659612def7caba6e6b,
title = "Molecular architecture of SARS-CoV-2 envelope by integrative modeling",
abstract = "Despite tremendous efforts by research community during the COVID-19 pandemic, the exact structure of SARS-CoV-2 and related betacoronaviruses remains elusive. Here, we developed and applied an integrative multi-scale computational approach to model the envelope structure of SARS-CoV-2, focusing on studying the dynamic nature and molecular interactions of its most abundant, but largely understudied, M (membrane) protein. The molecular dynamics simulations allowed us to test the envelop stability under different configurations and revealed that M dimers agglomerated into large, filament-like, macromolecular assemblies with distinct molecular patterns formed by M{\textquoteright}s transmembrane and intra-virion (endo) domains. These results were in agreement with the experimental data, demonstrating a generic and versatile integrative approach to model the structure of a virus de novo, providing insights into critical roles of structural proteins in the viral assembly and integration, and proposing new targets for the antiviral therapies.",
author = "Weria Pezeshkian",
year = "2021",
month = sep,
day = "15",
doi = "10.1101/2021.09.15.459697",
language = "English",
journal = "bioRxiv",
issn = "2692-8205",

}

RIS

TY - JOUR

T1 - Molecular architecture of SARS-CoV-2 envelope by integrative modeling

AU - Pezeshkian, Weria

PY - 2021/9/15

Y1 - 2021/9/15

N2 - Despite tremendous efforts by research community during the COVID-19 pandemic, the exact structure of SARS-CoV-2 and related betacoronaviruses remains elusive. Here, we developed and applied an integrative multi-scale computational approach to model the envelope structure of SARS-CoV-2, focusing on studying the dynamic nature and molecular interactions of its most abundant, but largely understudied, M (membrane) protein. The molecular dynamics simulations allowed us to test the envelop stability under different configurations and revealed that M dimers agglomerated into large, filament-like, macromolecular assemblies with distinct molecular patterns formed by M’s transmembrane and intra-virion (endo) domains. These results were in agreement with the experimental data, demonstrating a generic and versatile integrative approach to model the structure of a virus de novo, providing insights into critical roles of structural proteins in the viral assembly and integration, and proposing new targets for the antiviral therapies.

AB - Despite tremendous efforts by research community during the COVID-19 pandemic, the exact structure of SARS-CoV-2 and related betacoronaviruses remains elusive. Here, we developed and applied an integrative multi-scale computational approach to model the envelope structure of SARS-CoV-2, focusing on studying the dynamic nature and molecular interactions of its most abundant, but largely understudied, M (membrane) protein. The molecular dynamics simulations allowed us to test the envelop stability under different configurations and revealed that M dimers agglomerated into large, filament-like, macromolecular assemblies with distinct molecular patterns formed by M’s transmembrane and intra-virion (endo) domains. These results were in agreement with the experimental data, demonstrating a generic and versatile integrative approach to model the structure of a virus de novo, providing insights into critical roles of structural proteins in the viral assembly and integration, and proposing new targets for the antiviral therapies.

U2 - 10.1101/2021.09.15.459697

DO - 10.1101/2021.09.15.459697

M3 - Journal article

JO - bioRxiv

JF - bioRxiv

SN - 2692-8205

ER -

ID: 316411732