Cargando…
Structural bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild type reference
To date, more than 263 million people have been infected with SARS-CoV-2 during the COVID-19 pandemic. In many countries, the global spread occurred in multiple pandemic waves characterized by the emergence of new SARS-CoV-2 variants. Here we report a sequence and structural-bioinformatics analysis...
Autores principales: | Durmaz, Vedat, Köchl, Katharina, Krassnigg, Andreas, Parigger, Lena, Hetmann, Michael, Singh, Amit, Nutz, Daniel, Korsunsky, Alexander, Kahler, Ursula, König, Centina, Chang, Lee, Krebs, Marius, Bassetto, Riccardo, Pavkov-Keller, Tea, Resch, Verena, Gruber, Karl, Steinkellner, Georg, Gruber, Christian C. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9406262/ https://www.ncbi.nlm.nih.gov/pubmed/36008461 http://dx.doi.org/10.1038/s41598-022-18507-y |
Ejemplares similares
-
Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs
por: Parigger, Lena, et al.
Publicado: (2022) -
Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX
por: Hetmann, M., et al.
Publicado: (2023) -
Blocking key mutated hotspot residues in the RBD of the omicron variant (B.1.1.529) with medicinal compounds to disrupt the RBD-hACE2 complex using molecular screening and simulation approaches
por: Khan, Abbas, et al.
Publicado: (2022) -
Targeting the RBD of Omicron Variant (B.1.1.529) with Medicinal Phytocompounds to Abrogate the Binding of Spike Glycoprotein with the hACE2 Using Computational Molecular Search and Simulation Approach
por: Hakami, Abdulrahim R.
Publicado: (2022) -
Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamics simulations
por: Köchl, Katharina, et al.
Publicado: (2023)