The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents
Open accessAbstract
Emerging outbreak of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection is a major threat to public health. The morbidity is increasing due to lack of SARS-CoV-2 specific drugs. Herein, we have identified potential drugs that target the 3-chymotrypsin like protease (3CLpro), the main protease that is pivotal for the replication of SARS-CoV-2. Computational molecular modeling was used to screen 3987 FDA approved drugs, and 47 drugs were selected to study their inhibitory effects on SARS-CoV-2 specific 3CLpro enzyme in vitro. Our results indicate that boceprevir, ombitasvir, paritaprevir, tipranavir, ivermectin, and micafungin exhibited inhibitory effect towards 3CLpro enzymatic activity. The 100 ns molecular dynamics simulation studies showed that ivermectin may require homodimeric form of 3CLpro enzyme for its inhibitory activity. In summary, these molecules could be useful to develop highly specific therapeutically viable drugs to inhibit the SARS-CoV-2 replication either alone or in combination with drugs specific for other SARS-CoV-2 viral targets.
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A novel coronavirus from patients with pneumonia in China, 2019
Zhu, N., Zhang, D., Wang, W., Li, X., Yang, B., Song, J., Zhao, X., Huang, B., Shi, W., Lu, R., et al. (2020) · New England Journal of Medicine · doi:10.1056/nejmoa2001017 · Cited by 28,244
A new coronavirus associated with human respiratory disease in China
Wu, F., Zhao, S., Yu, B., Chen, Y.-M., Wang, W., Song, Z.-G., Hu, Y., Tao, Z.-W., Tian, J.-H., Pei, Y.-Y., et al. (2020) · Nature · doi:10.1038/s41586-020-2008-3 · Cited by 11,688
First case of 2019 novel coronavirus in the United States
Holshue, M. L., DeBolt, C., Lindquist, S., Lofy, K. H., Wiesman, J., Bruce, H., Spitters, C., Ericson, K., Wilkerson, S., Tural, A., et al. (2020) · New England Journal of Medicine · doi:10.1056/nejmoa2001191 · Cited by 6,030
Wan, Y., Shang, J., Graham, R., Baric, R. S., & Li, F. (2020) · Journal of Virology · doi:10.1128/jvi.00127-20 · Cited by 4,341
Cited by
Guo, B., Zheng, H., Jiang, H., Li, X., Guan, N., Zuo, Y., Zhang, Y., Yang, H., & Wang, X. (2023) · Briefings in Bioinformatics · doi:10.1093/bib/bbac628 · Cited by 7
Inhibition of SARS-CoV-2 3CL protease by the anti-viral chimeric protein RetroMAD1
Chan, L.-C., Mat Yassim, A. S., Ahmad Fuaad, A. A. H., Leow, T. C., Sabri, S., Radin Yahaya, R. S., & Abu Bakar, A. M. S. (2023) · Scientific Reports · doi:10.1038/s41598-023-47511-z · Cited by 5
Metadata
- Authors
- Mody, V., Ho, J., Wills, S., Mawri, A., Lawson, L., Ebert, M. C. C. J. C., Fortin, G. M., Rayalam, S., & Taval, S.
- Venue
- Communications Biology
- Published
- 2021-01-20
- Volume
- 4
- Issue
- 1
- Pages
- 93-93
- ISSN
- 2399-3642 (ISSN-L)
- OpenAlex
- W3139690347
- Cited by
- 257
- References
- 4
- FWCI
- 27.24
- Type
- journal article
- Language
- en
- Open access
- gold
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
