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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...
Autores principales: | Mohammadi, Saeedeh, Heidarizadeh, Mohammad, Entesari, Mehrnaz, Esmailpour, Ayoub, Esmailpour, Mohammad, Moradi, Rasoul, Sakhaee, Nader, Doustkhah, Esmail |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
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 |
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