In silico Investigation on the Inhibiting Role of Nicotine/Caffeine by Blocking the S Protein of SARS-CoV-2 Versus ACE2 Receptor

In this paper, we studied the in silico interaction of angiotensin-converting enzyme 2 (ACE2) human receptor with two bioactive compounds, i.e., nicotine and caffeine, via molecular dynamic (MD) simulations. The simulations reveal the efficient blocking of ACE2 by caffeine and nicotine in the exposu...

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Detalles Bibliográficos
Autores principales: Mohammadi, Saeedeh, Heidarizadeh, Mohammad, Entesari, Mehrnaz, Esmailpour, Ayoub, Esmailpour, Mohammad, Moradi, Rasoul, Sakhaee, Nader, Doustkhah, Esmail
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7603175/
https://www.ncbi.nlm.nih.gov/pubmed/33080900
http://dx.doi.org/10.3390/microorganisms8101600

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7603175/
https://www.ncbi.nlm.nih.gov/pubmed/33080900
http://dx.doi.org/10.3390/microorganisms8101600

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