Deep Drug Discovery of Mac Domain of SARS-CoV-2 (WT) Spike Inhibitors: Using Experimental ACE2 Inhibition TR-FRET Assay, Screening, Molecular Dynamic Simulations and Free Energy Calculations

SARS-CoV-2 exploits the homotrimer transmembrane Spike glycoproteins (S protein) during host cell invasion. The Omicron XBB subvariant, delta, and prototype SARS-CoV-2 receptor-binding domain show similar binding strength to hACE2 (human Angiotensin-Converting Enzyme 2). Here we utilized multiligand...

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Detalles Bibliográficos
Autores principales: Iqbal, Saleem, Lin, Sheng-Xiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10451221/
https://www.ncbi.nlm.nih.gov/pubmed/37627846
http://dx.doi.org/10.3390/bioengineering10080961

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10451221/
https://www.ncbi.nlm.nih.gov/pubmed/37627846
http://dx.doi.org/10.3390/bioengineering10080961

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