Multi-structural molecular docking (MOD) combined with molecular dynamics reveal the structural requirements of designing broad-spectrum inhibitors of SARS-CoV-2 entry to host cells

New variants of SARS-CoV-2 that can escape immune response continue to emerge. Consequently, there is an urgent demand to design small molecule therapeutics inhibiting viral entry to host cells to reduce infectivity rate. Despite numerous in silico and in situ studies, the structural requirement of...

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Detalles Bibliográficos
Autores principales: Da, Anqi, Wu-Lu, Meritxell, Dragelj, Jovan, Mroginski, Maria Andrea, Ebrahimi, Kourosh H.
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/PMC10541870/
https://www.ncbi.nlm.nih.gov/pubmed/37773489
http://dx.doi.org/10.1038/s41598-023-42015-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10541870/
https://www.ncbi.nlm.nih.gov/pubmed/37773489
http://dx.doi.org/10.1038/s41598-023-42015-2

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