New α-Hydrazinophosphonic acid: Synthesis, characterization, DFT study and in silico prediction of its potential inhibition of SARS-CoV-2 main protease

A new α-Hydrazinophosphonic acid (HDZPA) has been synthesized and its molecular structure was determined using spectroscopic methods. The Density Functional Theory (DFT) at the B3LYP/6–31 G (d,p) level was utilized to determine the electronic properties, vibrational modes and active sites of the exa...

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Detalles Bibliográficos
Autores principales: Benbouguerra, Khalissa, Chafai, Nadjib, Chafaa, Salah, Touahria, Youcef Islam, Tlidjane, Hamida
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8059216/
https://www.ncbi.nlm.nih.gov/pubmed/33903777
http://dx.doi.org/10.1016/j.molstruc.2021.130480

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8059216/
https://www.ncbi.nlm.nih.gov/pubmed/33903777
http://dx.doi.org/10.1016/j.molstruc.2021.130480

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