Cargando…

Mutations in the SARS-CoV-2 spike protein modulate the virus affinity to the human ACE2 receptor, an in silico analysis

The increasing number of SARS-CoV-2 variants associated with highly transmissible phenotypes is a health-public concern in the current pandemic scenario. Herein, we developed a comprehensive in silico analysis of the changes occurring upon mutations in the viral spike. We focused on mutants located...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ortega, Joseph Thomas, Pujol, Flor Helene, Jastrzebska, Beata, Rangel, Hector R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Leibniz Research Centre for Working Environment and Human Factors 2021
Materias:	Original Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8056063/ https://www.ncbi.nlm.nih.gov/pubmed/33883984 http://dx.doi.org/10.17179/excli2021-3471

Ejemplares similares

Omicron SARS-CoV-2 Variant Spike Protein Shows an Increased Affinity to the Human ACE2 Receptor: An In Silico Analysis
por: Ortega, Joseph Thomas, et al.
Publicado: (2021)

Role of changes in SARS-CoV-2 spike protein in the interaction with the human ACE2 receptor: An in silico analysis
por: Ortega, Joseph Thomas, et al.
Publicado: (2020)

In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin
por: Piplani, Sakshi, et al.
Publicado: (2021)

Impact of temperature on the affinity of SARS-CoV-2 Spike glycoprotein for host ACE2
por: Prévost, Jérémie, et al.
Publicado: (2021)

Noneffect of SARS-CoV-2 spike glycoprotein Y217N mutation on affinity between the virus and ACE2
por: Hayashi, Takuma, et al.
Publicado: (2021)

Effect of An 84-bp Deletion of the Receptor-Binding Domain on the ACE2 Binding Affinity of the SARS-CoV-2 Spike Protein: An In Silico Analysis
por: Kemenesi, Gábor, et al.
Publicado: (2021)

Author Correction: In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin
por: Piplani, Sakshi, et al.
Publicado: (2021)

Evolutionary and structural analysis elucidates mutations on SARS-CoV2 spike protein with altered human ACE2 binding affinity
por: Chakraborty, Sandipan
Publicado: (2021)

SARS-CoV-2 D614G spike mutation increases entry efficiency with enhanced ACE2-binding affinity
por: Ozono, Seiya, et al.
Publicado: (2021)

Evolutionary and structural analysis elucidates mutations on SARS-CoV2 spike protein with altered human ACE2 binding affinity
por: Chakraborty, Sandipan
Publicado: (2021)

Molecular docking simulation reveals ACE2 polymorphisms that may increase the affinity of ACE2 with the SARS-CoV-2 Spike protein
por: Calcagnile, Matteo, et al.
Publicado: (2021)

High affinity binding of SARS-CoV-2 spike protein enhances ACE2 carboxypeptidase activity
por: Lu, Jinghua, et al.
Publicado: (2020)

High affinity binding of SARS-CoV-2 spike protein enhances ACE2 carboxypeptidase activity
por: Lu, Jinghua, et al.
Publicado: (2020)

Computationally engineered ACE2 decoy binds with nanomolar affinity with the SARS-CoV-2 spike protein
por: Islam, Mohammad S., et al.
Publicado: (2022)

Mechanistic Origin of Different Binding Affinities of SARS-CoV and SARS-CoV-2 Spike RBDs to Human ACE2
por: Zhang, Zhi-Bi, et al.
Publicado: (2022)

Effects of common mutations in the SARS-CoV-2 Spike RBD and its ligand, the human ACE2 receptor on binding affinity and kinetics
por: Barton, Michael I, et al.
Publicado: (2021)

Reply to Hayashi and Konishi: Noneffect of SARS-CoV-2 spike glycoprotein Y217N mutation on affinity between virus and ACE2
por: Tang, Yan-Dong
Publicado: (2021)

Unrevealing sequence and structural features of novel coronavirus using in silico approaches: The main protease as molecular target
por: Ortega, Joseph Thomas, et al.
Publicado: (2020)

Class A G Protein-Coupled Receptor Antagonist Famotidine as a Therapeutic Alternative against SARS-CoV2: An In Silico Analysis
por: Ortega, Joseph T., et al.
Publicado: (2020)

Modelling SARS-CoV-2 spike-protein mutation effects on ACE2 binding
por: Thakur, Shivani, et al.
Publicado: (2023)

SARS-CoV-2 Spike mutations modify the interaction between virus Spike and human ACE2 receptors
por: Mishra, Pushpendra Mani, et al.
Publicado: (2022)

SARS-CoV-2 host tropism: An in silico analysis of the main cellular factors
por: Rangel, H.R., et al.
Publicado: (2020)

SARS CoV-2 Spike Protein in silico Interaction With ACE2 Receptors From Wild and Domestic Species
por: Rendon-Marin, Santiago, et al.
Publicado: (2021)

In silico evaluation of the interaction between ACE2 and SARS-CoV-2 Spike protein in a hyperglycemic environment
por: Sartore, Giovanni, et al.
Publicado: (2021)

In-silico study for the identification of potential destabilizers between the spike protein of SARS-CoV-2 and human ACE-2
por: Medina-Barandica, Jeffry, et al.
Publicado: (2023)

Global conserved RBD fraction of SARS-CoV-2 S-protein with T500S mutation in silico significantly blocks ACE2 and rejects viral spike
por: Banerjee, Amrita, et al.
Publicado: (2022)

In silico analysis of SARS-CoV-2 spike protein N501Y and N501T mutation effects on human ACE2 binding
por: Çubuk, Hasan, et al.
Publicado: (2022)

Identifying zoonotic origin of SARS-CoV-2 by modeling the binding affinity between Spike receptor-binding domain and host ACE2
por: Huang, Xiaoqiang, et al.
Publicado: (2020)

Computational prediction of the effect of amino acid changes on the binding affinity between SARS-CoV-2 spike RBD and human ACE2
por: Chen, Chen, et al.
Publicado: (2021)

Prion-like Domains in Spike Protein of SARS-CoV-2 Differ across Its Variants and Enable Changes in Affinity to ACE2
por: Tetz, George, et al.
Publicado: (2022)

A CNN model for predicting binding affinity changes between SARS-CoV-2 spike RBD variants and ACE2 homologues
por: Chen, Chen, et al.
Publicado: (2022)

SARS-CoV-2 spike and ACE2 entanglement-like binding
por: Pregnolato, Massimo, et al.
Publicado: (2023)

Mutations Observed in the SARS-CoV-2 Spike Glycoprotein and Their Effects in the Interaction of Virus with ACE-2 Receptor
por: Durmaz, Bengül, et al.
Publicado: (2020)

Potential inhibitor for blocking binding between ACE2 and SARS-CoV-2 spike protein with mutations
por: Tsai, Ming-Shao, et al.
Publicado: (2022)

Biochemical Characterization of SARS-CoV-2 Spike RBD Mutations and Their Impact on ACE2 Receptor Binding
por: Hoter, Abdullah, et al.
Publicado: (2022)

E-Volve: understanding the impact of mutations in SARS-CoV-2 variants spike protein on antibodies and ACE2 affinity through patterns of chemical interactions at protein interfaces
por: Dos Santos, Vitor Pimentel, et al.
Publicado: (2022)

Computational modelling of potentially emerging SARS-CoV-2 spike protein RBDs mutations with higher binding affinity towards ACE2: A structural modelling study
por: Khan, Abbas, et al.
Publicado: (2022)

In silico binding profile characterization of SARS-CoV-2 spike protein and its mutants bound to human ACE2 receptor
por: Zhang, Yuzhao, et al.
Publicado: (2021)

Free Energy Perturbation Calculations of Mutation Effects on SARS-CoV-2 RBD::ACE2 Binding Affinity
por: Sergeeva, Alina P., et al.
Publicado: (2023)

Modeling SARS-CoV-2 spike/ACE2 protein–protein interactions for predicting the binding affinity of new spike variants for ACE2, and novel ACE2 structurally related human protein targets, for COVID-19 handling in the 3PM context
por: Tragni, Vincenzo, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_cf23c2odtlfhg9rt2m66ckegoa