The DOI matches its Crossref record; 7 of the 7 references it cites were found in a registry or an index.
Drugs repurposed for COVID-19 by virtual screening of 6,218 drugs and cell-based assay
Open accessAbstract
Significance: Recent spread of SARS-CoV-2 has sparked significant health concerns of emerging infectious viruses. Drug repurposing is a tangible strategy for developing antiviral agents within a short period. In general, drug repurposing starts with virtual screening of approved drugs employing docking simulations. However, the actual hit rate is low, and most of the predicted compounds are false positives. To tackle the challenges, we report advanced virtual screening with pre- and postdocking pharmacophore filtering of 6,218 drugs for COVID-19. Notably, 7 out of 38 compounds showed efficacies in inhibiting SARS-CoV-2 in Vero cells. Three of these were also found to inhibit SARS-CoV-2 in human Calu-3 cells. Furthermore, three drug combinations showed strong synergistic effects in SARS-CoV-2 inhibition at their clinically achievable concentrations.
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Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir
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Cited by
PLIP 2025: introducing protein–protein interactions to the protein–ligand interaction profiler
Schake, P., Bolz, S. N., Linnemann, K., & Schroeder, M. (2025) · Nucleic Acids Research · doi:10.1093/nar/gkaf361 · Cited by 322
Drug Combinations as a First Line of Defense against Coronaviruses and Other Emerging Viruses
White, J. M., Schiffer, J. T., Bender Ignacio, R. A., Xu, S., Kainov, D., Ianevski, A., Aittokallio, T., Frieman, M., Olinger, G. G., & Polyak, S. J. (2021) · mBio · doi:10.1128/mbio.03347-21 · Cited by 64
Insights from incorporating quantum computing into drug design workflows
Lau, B., Emani, P. S., Chapman, J., Yao, L., Lam, T., Merrill, P., Warrell, J., Gerstein, M. B., & Lam, H. Y. K. (2023) · Bioinformatics · doi:10.1093/bioinformatics/btac789 · Cited by 54
Metadata
- Authors
- Jang, W. D., Jeon, S., Kim, S., & Lee, S. Y.
- Venue
- Proceedings of the National Academy of Sciences
- Published
- 2021-07-07
- Volume
- 118
- Issue
- 30
- ISSN
- 0027-8424 (ISSN-L)
- 1091-6490
- OpenAlex
- W3179692152
- Cited by
- 171
- References
- 7
- FWCI
- 18.12
- Type
- journal article
- Language
- en
- Open access
- hybrid
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