Knowledge-based structural models of SARS-CoV-2 proteins and their complexes with potential drugs.
COVID-19
SARS-CoV
coronavirus
crude drug
drug repurposing
homology modeling
Journal
FEBS letters
ISSN: 1873-3468
Titre abrégé: FEBS Lett
Pays: England
ID NLM: 0155157
Informations de publication
Date de publication:
06 2020
06 2020
Historique:
received:
25
03
2020
revised:
27
04
2020
accepted:
29
04
2020
pubmed:
8
5
2020
medline:
2
7
2020
entrez:
8
5
2020
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 32379896
doi: 10.1002/1873-3468.13806
pmc: PMC7267562
doi:
Substances chimiques
Antiviral Agents
0
Viral Proteins
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
1960-1973Subventions
Organisme : Japan Agency for Medical Research and Development
Pays : International
Informations de copyright
© 2020 Federation of European Biochemical Societies.
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