The DOI matches its Crossref record; 23 of the 23 references it cites were found in a registry or an index.
Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease
Open accessAbstract
Aims In December 2019, the Coronavirus disease-2019 (COVID-19) virus has emerged in Wuhan, China. In this research, the first resolved COVID-19 crystal structure (main protease) was targeted in a virtual screening study by of FDA approved drugs dataset. In addition, a knowledge gap in relations of COVID-19 with the previously known fatal Coronaviruses (CoVs) epidemics, SARS and MERS CoVs, was covered by investigation of sequence statistics and phylogenetics. Materials and methods Molecular modeling, virtual screening, docking, sequence comparison statistics and phylogenetics of the COVID-19 main protease were investigated. Key findings COVID-19 Mpro formed a phylogenetic group with SARS CoV that was distant from MERS CoV. The identity% was 96.061 and 51.61 for COVID-19/SARS and COVID-19/MERS CoV sequence comparisons, respectively. The top 20 drugs in the virtual screening studies comprised a broad-spectrum antiviral (ribavirin), anti-hepatitis B virus (telbivudine), two vitamins (vitamin B12 and nicotinamide) and other miscellaneous systemically acting drugs. Of special interest, ribavirin had been used in treating cases of SARS CoV. Significance The present study provided a comprehensive targeting of the first resolved COVID+19 structure of Mpro and found a suitable save drugs for repurposing against the viral Mpro. Ribavirin, telbivudine, vitamin B12 and nicotinamide can be combined and used for COVID treatment. This initiative relocates already marketed and approved safe drugs for potential use in COVID-treatment.
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The broad-spectrum antiviral ribonucleoside ribavirin is an RNA virus mutagen
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Yan, W., Zheng, Y., Zeng, X., He, B., & Cheng, W. (2022) · Signal Transduction and Targeted Therapy · doi:10.1038/s41392-022-00884-5 · Cited by 291
Could Vitamins Help in the Fight Against COVID-19?
Jovic, T. H., Ali, S. R., Ibrahim, N., Jessop, Z. M., Tarassoli, S. P., Dobbs, T. D., Holford, P., Thornton, C. A., & Whitaker, I. S. (2020) · Nutrients · doi:10.3390/nu12092550 · Cited by 234
Metadata
- Authors
- Kandeel, M., & Al-Nazawi, M.
- Venue
- Life Sciences
- Publisher
- Elsevier BV
- Published
- 2020-06
- Volume
- 251
- Pages
- 117627
- ISSN
- 0024-3205 (ISSN-L)
- OpenAlex
- W3014852814
- Cited by
- 412
- References
- 23
- FWCI
- 44.43
- Type
- journal article
- Language
- en
- Open access
- green
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