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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High-throughput identification of prefusion-stabilizing mutations in SARS-CoV-2 spike
TL;DR: In this article , a method of identifying mutations that concomitantly improve expression and stabilize the prefusion conformation of the SARS-CoV-2 spike was proposed.
Journal ArticleDOI
Different Binding Modes of SARS-CoV-1 and SARS-CoV-2 Fusion Peptides to Cell Membranes: The Influence of Peptide Helix Length
Hujun Shen,Zhenhua Wu,Ling Chen +2 more
TL;DR: It is discovered that the membrane-binding mode would influence the helix length of SARS-CoV-1 FP, while the helIX length ofSARS- co-V-2 FP could be stably maintained in the membranes-bound configurations.
Posted ContentDOI
Host cell membrane capture by the SARS CoV-2 spike protein fusion intermediate
TL;DR: In this article, the authors constructed a full-length model of the CoV-2 FI by extrapolating from known CoV2 pre-and post-fusion structures and found that the FI was remarkably flexible and executed large bending and extensional fluctuations due to three hinges in the C-terminal base.
Journal ArticleDOI
Interaction of Spike protein and lipid membrane of SARS-CoV-2 with Ursodeoxycholic acid, an in-silico analysis
Francisco Javier Rodal Canales,Laura Pérez-Campos Mayoral,María Teresa Hernández-Huerta,Luis Manuel Sánchez Navarro,Carlos Alberto Matias-Cervantes,Margarito Martínez Cruz,Eli Cruz Parada,Edgar Zenteno,Edgar Gustavo Ramos-Martínez,Eduardo Pérez-Campos Mayoral,Carlos Romero Díaz,Eduardo Pérez-Campos +11 more
TL;DR: In this paper, molecular docking was performed with the SARS-CoV-2 Spike protein and Ursodeoxycholic acid (UDCA) and it was found that UDCA exhibits affinity towards the central region of the Spike protein structure of −386.
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Exploring the pH dependence of the SARS‐CoV‐2 complete fusion domain and the role of its unique structural features
TL;DR: Findings indicate that the SARS‐CoV‐2 FD preferably initiates fusion at a pH similar to the late endosome through a mechanism that heavily relies on the internal disulfide bond of the FL and hydrophobic LLF motif within the FP.
References
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Scikit-learn: Machine Learning in Python
Fabian Pedregosa,Gaël Varoquaux,Alexandre Gramfort,Vincent Michel,Bertrand Thirion,Olivier Grisel,Mathieu Blondel,Peter Prettenhofer,Ron Weiss,Vincent Dubourg,Jake Vanderplas,Alexandre Passos,David Cournapeau,Matthieu Brucher,Matthieu Perrot,Edouard Duchesnay +15 more
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VMD: Visual molecular dynamics
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Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China
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Comparison of simple potential functions for simulating liquid water
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