Journal
FEBS LETTERS
Volume 594, Issue 12, Pages 1960-1973Publisher
WILEY
DOI: 10.1002/1873-3468.13806
Keywords
coronavirus; COVID-19; crude drug; drug repurposing; homology modeling; SARS-CoV
Funding
- Platform Project for Supporting Drug Discovery and Life Science Research (Basis of Supporting Innovative Drug Discovery and Life Science Research (BINDS)) from AMED [JP20am0101111, JP20am0101069]
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The World Health Organization (WHO) has declared the coronavirus disease 2019 (COVID-19) caused by the novel coronavirus SARS-CoV-2 a pandemic. There is, however, no confirmed anti-COVID-19 therapeutic currently. In order to assist structure-based discovery efforts for repurposing drugs against this disease, we constructed knowledge-based models of SARS-CoV-2 proteins and compared the ligand molecules in the template structures with approved/experimental drugs and components of natural medicines. Our theoretical models suggest several drugs, such as carfilzomib, sinefungin, tecadenoson, and trabodenoson, that could be further investigated for their potential for treating COVID-19.
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