Repurposing FDA-approved drugs for COVID-19: targeting the main protease through multi-phase <i>in silico</i> approach
<i>In silico</i> results suggest that Atazanavir is a promising candidate for targeting SARS-CoV-2 M<sup>pro</sup>, with strong binding affinity and dynamic stability. These findings support its potential as a lead compound for further preclinical and clinical testing, though in vitro and in vivo validation are needed to confirm its therapeutic efficacy against COVID-19.
Authors
- Ibrahim H. Eissa (ORCID: https://orcid.org/0000-0002-6955-2263)
- Aisha A. Alsfouk (ORCID: https://orcid.org/0000-0003-4497-5013)
- Hazem Elkady (ORCID: https://orcid.org/0000-0003-0893-6703)
- Eslam B. Elkaeed (ORCID: https://orcid.org/0000-0002-2546-8035)
- Ahmed M. Metwaly (ORCID: https://orcid.org/0000-0001-8566-1980)
- Ibrahim M. Ibrahim (ORCID: https://orcid.org/0009-0005-1699-848X)
Institutions
- Princess Nourah bint Abdulrahman University (SA)
- Alfaisal University (SA)
- Cairo University (EG)
- Al-Azhar University (EG)
- Al-Azhar University (ID)
- Almaarefa University
Publication Details
- Journal
- Antiviral Therapy
- Published
- 2024-12-01
- DOI
- https://doi.org/10.1177/13596535241305536
- Citations
- 4
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 1.45
Funders
- Princess Nourah Bint Abdulrahman University