Binding mode of SARS-CoV-2 fusion peptide to human cellular membrane.
TLDR
In this article, the authors used an array of molecular dynamics simulations that take advantage of the highly mobile membrane mimetic model to investigate the interaction of the SARS-CoV2 FP with a lipid bilayer representing mammalian cellular membranes at an atomic level and to characterize the membrane-bound form of the peptide.About:
This article is published in Biophysical Journal.The article was published on 2021-03-04 and is currently open access. It has received 28 citations till now. The article focuses on the topics: Host cell membrane & Lipid bilayer fusion.read more
Citations
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Ca2+-dependent mechanism of membrane insertion and destabilization by the SARS-CoV-2 fusion peptide.
TL;DR: In this article, the authors predicted the preferred positions of Ca2+ binding to the SARS-CoV-2-FP, the role of ca2+ ions in mediating peptide-membrane interactions, and the preferred mode of insertion of the Ca2-bound SARS CoV2-2FP, and consequent effects on the lipid bilayer from extensive atomistic molecular dynamics simulations and trajectory analyses.
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Could metabolomics drive the fate of COVID-19 pandemic? A narrative review on lights and shadows.
Michele Mussap,Vassilios Fanos +1 more
TL;DR: In this paper, a limited number of metabolomics-and lipidomics-based clinical studies in COVID-19 patients have been published and are discussed in this review, where remarkable alterations in the lipid and amino acid metabolism depict the molecular phenotype of subjects infected by SARS-CoV-2.
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Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane.
TL;DR: In this paper, the SARS-CoV-2 virus fuses its viral envelope with cellular membranes of its human host and forms an anchor strong enough to withstand the mechanical force during membrane fusion.
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Sterically confined rearrangements of SARS-CoV-2 Spike protein control cell invasion.
TL;DR: In this paper, an all-atom model with simplified energetics was used to perform thousands of simulations in which the protein transitions between the prefusion and post-fusion conformations.
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COVID-19 and Neurodegenerative Diseases: Prion-Like Spread and Long-Term Consequences.
TL;DR: It is hypothesized that people with neurodegenerative diseases, Parkinson's disease, and aged people are at higher risk of getting the COVID-19 than normal adults and that the risk of having the infection increases with dementia and that infected people with severe symptoms could develop dementia as a long-term consequence.
References
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Journal ArticleDOI
Membrane Interaction of the Factor VIIIa Discoidin Domains in Atomistic Detail
Jesper J. Madsen,Jesper J. Madsen,Y. Zenmei Ohkubo,Günther H.J. Peters,Johan H. Faber,Emad Tajkhorshid,Ole Hvilsted Olsen +6 more
TL;DR: The results indicate that FVIII C1 may be important in modulating the orientation of the FV IIIa molecule to optimize the interaction with FIXa, which is anchored to the membrane via its γ-carboxyglutamic acid-rich (Gla) domain.
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Effect of Membrane Lipid Packing on Stable Binding of the ALPS Peptide.
TL;DR: An image processing technique for identifying packing defects is developed and the probability of the ALPS peptide moving toward the membrane increases when it is near a large packing defect, and the binding time scale can be reduced by roughly 1 order of magnitude when HMMM is used.
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Coupling X-Ray Reflectivity and In Silico Binding to Yield Dynamics of Membrane Recognition by Tim1
Gregory T. Tietjen,Javier L. Baylon,Daniel Kerr,Zhiliang Gong,J. Michael Henderson,Charles T.R. Heffern,Mati Meron,Binhua Lin,Mark L. Schlossman,Erin J. Adams,Emad Tajkhorshid,Ka Yee C. Lee +11 more
TL;DR: In silico membrane-binding simulations can remove the requirement that the existing crystal structure be in the membrane-bound conformation for effective x-ray reflectivity analysis, and this refined methodology has the potential for much broader applicability with respect to defining the atomistic details of membrane- binding proteins.
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Phosphatidic acid induces conformational changes in Sec18 protomers that prevent SNARE priming
Matthew L. Starr,Robert P. Sparks,Andres S. Arango,Logan R. Hurst,Zhiyu Zhao,Muyun Lihan,Jermaine L. Jenkins,Emad Tajkhorshid,Rutilio A. Fratti +8 more
TL;DR: Findings indicate that PA regulates Sec18 function by altering its architecture and stabilizing membrane-bound Sec18 protomers, which is distinct from the conformational changes that occur in hexameric Sec18 during SNARE priming.