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A Study of Drug Repurposing to Identify SARS-CoV-2 Main Protease (3CLpro) Inhibitors
- Title
- A Study of Drug Repurposing to Identify SARS-CoV-2 Main Protease (3CLpro) Inhibitors
- Authors
- Jo, Seri; Signorile, Luca; Kim, Suwon; Kim, Mi-Sun; Huertas, Oscar; Insa, Raul; Reig, Nuria; Shin, Dong Hae
- Ewha Authors
- 신동해; 김수원; 김미선
- SCOPUS Author ID
- 신동해; 김수원; 김미선
- Issue Date
- 2022
- Journal Title
- INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- ISSN
- 1422-0067
- Citation
- INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES vol. 23, no. 12
- Keywords
- SARS-CoV-2 3CL protease; drug repurposing; antiviral; fret; inhibitory compounds
- Publisher
- MDPI
- Indexed
- SCIE; SCOPUS
- Document Type
- Article
- Abstract
- The outbreak of coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) wreaked havoc all over the world. Although vaccines for the disease have recently become available and started to be administered to the population in various countries, there is still a strong and urgent need for treatments to cure COVID-19. One of the safest and fastest strategies is represented by drug repurposing (DRPx). In this study, thirty compounds with known safety profiles were identified from a chemical library of Phase II-and-up compounds through a combination of SOM Biotech's Artificial Intelligence (AI) technology, (SOMPRO)-P-AI, and in silico docking calculations with third-party software. The selected compounds were then tested in vitro for inhibitory activity against SARS-CoV-2 main protease (3CLpro or Mpro). Of the thirty compounds, three (cynarine, eravacycline, and prexasertib) displayed strong inhibitory activity against SARS-CoV-2 3CLpro. VeroE6 cells infected with SARS-CoV-2 were used to find the cell protection capability of each candidate. Among the three compounds, only eravacycline showed potential antiviral activities with no significant cytotoxicity. A further study is planned for pre-clinical trials.
- DOI
- 10.3390/ijms23126468
- Appears in Collections:
- 약학대학 > 약학과 > Journal papers
- Files in This Item:
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ijms-23-06468.pdf(2.05 MB)
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