Cargando…

Computational design of SARS-CoV-2 peptide binders with better predicted binding affinities than human ACE2 receptor

SARS-CoV-2 is coronavirus causing COVID-19 pandemic. To enter human cells, receptor binding domain of S1 subunit of SARS-CoV-2 (SARS-CoV-2-RBD) binds to peptidase domain (PD) of angiotensin-converting enzyme 2 (ACE2) receptor. Employing peptides to inhibit binding between SARS-CoV-2-RBD and ACE2-PD...

Descripción completa

Detalles Bibliográficos
Autores principales:	Sitthiyotha, Thassanai, Chunsrivirot, Surasak
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8329052/ https://www.ncbi.nlm.nih.gov/pubmed/34341401 http://dx.doi.org/10.1038/s41598-021-94873-3

Ejemplares similares

Computational redesign of Fab CC12.3 with substantially better predicted binding affinity to SARS-CoV-2 than human ACE2 receptor
por: Treewattanawong, Wantanee, et al.
Publicado: (2021)

Computational redesign of Beta-27 Fab with substantially better predicted binding affinity to the SARS-CoV-2 Omicron variant than human ACE2 receptor
por: Treewattanawong, Wantanee, et al.
Publicado: (2023)

Designing peptides predicted to bind to the omicron variant better than ACE2 via computational protein design and molecular dynamics
por: Sitthiyotha, Thassanai, et al.
Publicado: (2023)

Molecular dynamics provides insight into how N251A and N251Y mutations in the active site of Bacillus licheniformis RN-01 levansucrase disrupt production of long-chain levan
por: Sitthiyotha, Thassanai, et al.
Publicado: (2018)

Biochemical and ligand binding properties of recombinant Xenopus laevis cortical granule lectin-1
por: Deetanya, Peerapon, et al.
Publicado: (2022)

Computational design of Lactobacillus Acidophilus α-L-rhamnosidase to increase its structural stability
por: Sitthiyotha, Thassanai, et al.
Publicado: (2022)

Unravelling Regioselectivity of Leuconostoc citreum ABK-1 Alternansucrase by Acceptor Site Engineering
por: Wangpaiboon, Karan, et al.
Publicado: (2021)

Global diversity of the gene encoding the Pfs25 protein—a Plasmodium falciparum transmission-blocking vaccine candidate
por: Sookpongthai, Pornpawee, et al.
Publicado: (2021)

Human ACE2 orthologous peptide sequences show better binding affinity to SARS-CoV-2 RBD domain: Implications for drug design
por: Mahmoudi Azar, Lena, et al.
Publicado: (2023)

Computational optimization of the SARS-CoV-2 receptor-binding-motif affinity for human ACE2
por: Polydorides, Savvas, et al.
Publicado: (2021)

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

De Novo Discovery of High-Affinity Peptide Binders for the SARS-CoV-2 Spike Protein
por: Pomplun, Sebastian, et al.
Publicado: (2020)

Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents
por: Hochuli, Joshua E., et al.
Publicado: (2022)

Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents
por: Hochuli, Joshua E., et al.
Publicado: (2022)

SARS-CoV-2 Omicron RBD shows weaker binding affinity than the currently dominant Delta variant to human ACE2
por: Wu, Leyun, et al.
Publicado: (2022)

Antibody Fc-binding profiles and ACE2 affinity to SARS-CoV-2 RBD variants
por: Haycroft, Ebene R., et al.
Publicado: (2023)

A computational protein design protocol for optimization of the SARS-CoV-2 receptor-binding-motif affinity for human ACE2
por: Polydorides, Savvas, et al.
Publicado: (2022)

Comparative docking studies to understand the binding affinity of nicotine with soluble ACE2 (sACE2)-SARS-CoV-2 complex over sACE2
por: C., Selvaa Kumar, et al.
Publicado: (2020)

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

ACE2 coding variants in different populations and their potential impact on SARS-CoV-2 binding affinity
por: Ali, Fedaa, et al.
Publicado: (2020)

High affinity binding of SARS-CoV-2 spike protein enhances ACE2 carboxypeptidase activity
por: Lu, Jinghua, 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)

Automated affinity selection for rapid discovery of peptide binders
por: Zhang, Genwei, et al.
Publicado: (2021)

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)

Phosphate binders in dialysis: better satisfied than sorry
por: Cozzolino, Mario, et al.
Publicado: (2021)

Bionics design of affinity peptide inhibitors for SARS-CoV-2 RBD to block SARS-CoV-2 RBD-ACE2 interactions
por: Liu, Xiaofeng, et al.
Publicado: (2023)

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

Design of novel disturbing peptides against ACE2 SARS-CoV-2 spike-binding region by computational approaches
por: Zareei, Sara, et al.
Publicado: (2022)

Butein as a potential binder of human ACE2 receptor for interfering with SARS-CoV-2 entry: a computer-aided analysis
por: Kapoor, Neha, et al.
Publicado: (2022)

Engineered High-Affinity ACE2 Peptide Mitigates ARDS and Death Induced by Multiple SARS-CoV-2 Variants
por: Zhang, Lianghui, et al.
Publicado: (2021)

Does SARS-CoV-2 Bind to Human ACE2 More Strongly Than Does SARS-CoV?
por: Nguyen, Hoang Linh, et al.
Publicado: (2020)

SARS-CoV-2 Omicron spike glycoprotein receptor binding domain exhibits super-binder ability with ACE2 but not convalescent monoclonal antibody
por: Omotuyi, Olaposi, et al.
Publicado: (2022)

Electrostatic Interactions Are the Primary Determinant of the Binding Affinity of SARS-CoV-2 Spike RBD to ACE2: A Computational Case Study of Omicron Variants
por: Sang, Peng, 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)

In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding
por: Bate, Neil, et al.
Publicado: (2022)

Binding of SARS-COV-2 (COVID-19) and SARS-COV to human ACE2: Identifying binding sites and consequences on ACE2 stiffness
por: Faisal, H.M. Nasrullah, 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)

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

Ultra-large chemical libraries for the discovery of high-affinity peptide binders
por: Quartararo, Anthony J., et al.
Publicado: (2020)

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

Cannot write session to /tmp/vufind_sessions/sess_7ucrolhmtvqipsr6h06plh4ho1