Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2

Using the Density Functional Theory approach and in silico docking, the current study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS-CoV-2 major protease (Mpro) and RNA dependent RNA polymerase (RdRp) of SARS-CoV-2. FT-IR, UV–Vis, and NMR (1H, 13C, 31P) approaches...

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Detalles Bibliográficos
Autores principales: kerkour, Rachida, Chafai, Nadjib, Moumeni, Ouahiba, Chafaa, Saleh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9519172/
https://www.ncbi.nlm.nih.gov/pubmed/36193287
http://dx.doi.org/10.1016/j.molstruc.2022.134196

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9519172/
https://www.ncbi.nlm.nih.gov/pubmed/36193287
http://dx.doi.org/10.1016/j.molstruc.2022.134196

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