Cargando…

Computational redesign of Beta-27 Fab with substantially better predicted binding affinity to the SARS-CoV-2 Omicron variant than human ACE2 receptor

During the COVID-19 pandemic, SARS-CoV-2 has caused large numbers of morbidity and mortality, and the Omicron variant (B.1.1.529) was an important variant of concern. To enter human cells, the receptor-binding domain (RBD) of the S1 subunit of SARS-CoV-2 (SARS-CoV-2-RBD) binds to the peptidase domai...

Descripción completa

Detalles Bibliográficos
Autores principales:	Treewattanawong, Wantanee, Sitthiyotha, Thassanai, Chunsrivirot, Surasak
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10509195/ https://www.ncbi.nlm.nih.gov/pubmed/37726329 http://dx.doi.org/10.1038/s41598-023-42442-1

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)

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)

Computational design of SARS-CoV-2 peptide binders with better predicted binding affinities than human ACE2 receptor
por: Sitthiyotha, Thassanai, et al.
Publicado: (2021)

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)

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

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

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

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

A delicate balance between antibody evasion and ACE2 affinity for Omicron BA.2.75
por: Huo, Jiandong, et al.
Publicado: (2023)

Compensatory epistasis maintains ACE2 affinity in SARS-CoV-2 Omicron BA.1
por: Moulana, Alief, et al.
Publicado: (2022)

Reversal of the unique Q493R mutation increases the affinity of Omicron S1-RBD for ACE2
por: Philip, Angelin M., et al.
Publicado: (2023)

High activity of an affinity-matured ACE2 decoy against Omicron SARS-CoV-2 and pre-emergent coronaviruses
por: Sims, Joshua J., et al.
Publicado: (2022)

Structures of the Omicron Spike trimer with ACE2 and an anti-Omicron antibody
por: Yin, Wanchao, et al.
Publicado: (2022)

Binding affinity improvement analysis of multiple-mutant Omicron on 2019-nCov to human ACE2 by in silico predictions
por: Li, Bo, et al.
Publicado: (2023)

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)

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)

Cyclization strategies of meditopes: affinity and diffraction studies of meditope–Fab complexes
por: Bzymek, Krzysztof P., et al.
Publicado: (2016)

T cell epitopes in SARS-CoV-2 proteins are substantially conserved in the Omicron variant
por: Choi, Seong Jin, et al.
Publicado: (2022)

Scanning the RBD-ACE2 molecular interactions in Omicron variant
por: Rath, Soumya Lipsa, et al.
Publicado: (2022)

Development of a High Affinity, Non-covalent Biologic to Add Functionality to Fabs
por: Avery, Kendra N., et al.
Publicado: (2015)

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)

Replica exchange molecular dynamics simulations reveal the structural and molecular properties of levan-type fructo-oligosaccharides of various chain lengths
por: Kanjanatanin, Pongsakorn, et al.
Publicado: (2016)

Unraveling the structural and molecular properties of 34-residue levans with various branching degrees by replica exchange molecular dynamics simulations
por: Chunsrivirot, Surasak, et al.
Publicado: (2018)

Molecular dynamics reveals insight into how N226P and H227Y mutations affect maltose binding in the active site of α-glucosidase II from European honeybee, Apis mellifera
por: Punnatin, Panachai, et al.
Publicado: (2020)

Passive immunization with equine RBD-specific Fab protects K18-hACE2-mice against Alpha or Beta variants of SARS-CoV-2
por: Barbier, Mariette, et al.
Publicado: (2022)

Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1
por: Li, Linjie, et al.
Publicado: (2022)

Omicron: Master of immune evasion maintains robust ACE2 binding
por: Hoffmann, Markus, et al.
Publicado: (2022)

Affinity maturation of a portable Fab–RNA module for chaperone-assisted RNA crystallography
por: Koirala, Deepak, et al.
Publicado: (2018)

Replication-Competent Infectious Hepatitis B Virus Vectors Carrying Substantially Sized Transgenes by Redesigned Viral Polymerase Translation
por: Wang, Zihua, et al.
Publicado: (2013)

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)

Single chain Fab (scFab) fragment
por: Hust, Michael, et al.
Publicado: (2007)

Structural insights into the SARS-CoV-2 Omicron RBD-ACE2 interaction
por: Lan, Jun, 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)

Insight into the substrate specificity change caused by the Y227H mutation of α-glucosidase III from the European honeybee (Apis mellifera) through molecular dynamics simulations
por: Na Ayutthaya, Pratchaya Pramoj, et al.
Publicado: (2018)

Substantial Diversity in Cocirculating Omicron Lineages in Hospital Setting, Porto Alegre, Brazil
por: Andreis, Tiago F., et al.
Publicado: (2023)

Receptor binding domain of SARS‐CoV‐2 from Wuhan strain to Omicron B.1.1.529 attributes increased affinity to variable structures of human ACE2
por: Patil, Shankargouda, et al.
Publicado: (2022)

Substantial Neutralization Escape by SARS-CoV-2 Omicron Variants BQ.1.1 and XBB.1
por: Miller, Jessica, et al.
Publicado: (2023)

ACE2-Targeting antibody suppresses SARS-CoV-2 Omicron and Delta variants
por: Ou, Jianxia, et al.
Publicado: (2022)

Structures of ACE2–SIT1 recognized by Omicron variants of SARS-CoV-2
por: Shen, Yaping, et al.
Publicado: (2022)

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)

Cannot write session to /tmp/vufind_sessions/sess_3k3kh1mg9sihvjd75fe3co8tbo