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Journal article
A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease
Travel medicine and infectious disease, v 35, pp 101646-101646
01 May 2020
PMID: 32294562
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Background: The COVID-19 has now been declared a global pandemic by the World Health Organization. There is an emergent need to search for possible medications.
Method: Utilization of the available sequence information, homology modeling, and in slico docking a number of available medications might prove to be effective in inhibiting the SARS-CoV-2 two main drug targets, the spike glycoprotein, and the 3CL protease.
Results: Several compounds were determined from the in silico docking models that might prove to be effective inhibitors for SARS-CoV-2. Several antiviral medications: Zanamivir, Indinavir, Saquinavir, and Remdesivir show potential as and 3CL(PRO) main proteinase inhibitors and as a treatment for COVID-19.
Conclusion: Zanamivir, Indinavir, Saquinavir, and Remdesivir are among the exciting hits on the 3CL(PRO) main proteinase. It is also exciting to uncover that Flavin Adenine Dinucleotide (FAD) Adeflavin, B2 deficiency medicine, and Coenzyme A, a coenzyme, may also be potentially used for the treatment of SARS-CoV-2 infections. The use of these off-label medications may be beneficial in the treatment of the COVID-19.
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Details
- Title
- A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease
- Creators
- Donald C. Hall - Drexel UniversityHai-Feng Ji - Drexel University
- Publication Details
- Travel medicine and infectious disease, v 35, pp 101646-101646
- Publisher
- Elsevier
- Number of pages
- 3
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Microbiology and Immunology; Chemistry
- Web of Science ID
- WOS:000547845300016
- Scopus ID
- 2-s2.0-85083724506
- Other Identifier
- 991019168374404721
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Highly Cited Paper
- Web of Science research areas
- Infectious Diseases
- Public, Environmental & Occupational Health