Docking and Molecular Dynamics Simulations Clarify Binding Sites for Interactions of Novel Marine Sulfated Glycans with SARS-CoV-2 Spike Glycoprotein

The entry of SARS-CoV-2 into the host cell is mediated by its S-glycoprotein (SGP). Sulfated glycans bind to the SGP receptor-binding domain (RBD), which forms a ternary complex with its receptor angiotensin converting enzyme 2. Here, we have conducted a thorough and systematic computational study o...

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Detalles Bibliográficos
Autores principales: Samanta, Priyanka, Mishra, Sushil K., Pomin, Vitor H., Doerksen, Robert J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10490367/
https://www.ncbi.nlm.nih.gov/pubmed/37687244
http://dx.doi.org/10.3390/molecules28176413

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10490367/
https://www.ncbi.nlm.nih.gov/pubmed/37687244
http://dx.doi.org/10.3390/molecules28176413

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