Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein – Human ACE2 interface

With the advancement of the Covid-19 pandemic, this work aims to find molecules that can inhibit the attraction between the Spike proteins of the SARS-COV-2 virus and human ACE2. The results of molecular docking positioned four molecules at the interaction site Tyr-491(Spike)-Glu-37(ACE2) and one at...

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Detalles Bibliográficos
Autores principales: Faria, Sergio H.D.M., Teleschi, João G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7870108/
https://www.ncbi.nlm.nih.gov/pubmed/33583954
http://dx.doi.org/10.1016/j.molstruc.2021.130076

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7870108/
https://www.ncbi.nlm.nih.gov/pubmed/33583954
http://dx.doi.org/10.1016/j.molstruc.2021.130076

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