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Low rotational barriers for the most dynamically active methyl groups in the proposed antiviral drugs for treatment of SARS-CoV-2, apilimod and tetrandrine
A recent screening study highlighted a molecular compound, apilimod, for its efficacy against the SARS-CoV-2 virus, while another compound, tetrandrine, demonstrated a remarkable synergy with the benchmark antiviral drug, remdesivir. Here, we find that because of significantly reduced potential ener...
Autores principales: | Mamontov, Eugene, Cheng, Yongqiang, Daemen, Luke L., Kolesnikov, Alexander I., Ramirez-Cuesta, Anibal J., Ryder, Matthew R., Stone, Matthew B. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier B.V.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8105138/ https://www.ncbi.nlm.nih.gov/pubmed/33994552 http://dx.doi.org/10.1016/j.cplett.2021.138727 |
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