Second Life for Antivirals: Computational Docking Screens FDA-Approved Drugs against SARS-CoV-2 Main Protease

The COVID-19 pandemic necessitated rapid therapeutic solutions, leading to drug repurposing as a key strategy.SARS-CoV-2 main protease (M pro ) is a critical viral replication enzyme and a prime drug target.This study synthesizes computational docking studies screening FDA-approved drugs against M pro , highlighting promising candidates, methodological strengths, and translational challenges.Emphasis is placed on integrating computational predictions with experimental validation to accelerate antiviral discovery.Key findings underscore the potential of drugs like lopinavir, ritonavir, and non-antivirals (e.g., ebselen) as M pro inhibitors, while addressing limitations in scoring accuracy and clinical translatability.

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Publication Details

Journal
International Journal of Zoological Investigations
Published
2025-01-01
DOI
https://doi.org/10.33745/ijzi.2025.v11i02.013
Primary Topic
Prenatal Screening and Diagnostics
Type
article
Field-Weighted Citation Impact
0.00
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article

Second Life for Antivirals: Computational Docking Screens FDA-Approved Drugs against SARS-CoV-2 Main Protease

International Journal of Zoological Investigations
Prenatal Screening and Diagnostics
article

Second Life for Antivirals: Computational Docking Screens FDA-Approved Drugs against SARS-CoV-2 Main Protease

article en

Abstract

The COVID-19 pandemic necessitated rapid therapeutic solutions, leading to drug repurposing as a key strategy.SARS-CoV-2 main protease (M pro ) is a critical viral replication enzyme and a prime drug target.This study synthesizes computational docking studies screening FDA-approved drugs against M pro , highlighting promising candidates, methodological strengths, and translational challenges.Emphasis is placed on integrating computational predictions with experimental validation to accelerate antiviral discovery.Key findings underscore the potential of drugs like lopinavir, ritonavir, and non-antivirals (e.g., ebselen) as M pro inhibitors, while addressing limitations in scoring accuracy and clinical translatability.

International Journal of Zoological InvestigationsVol. Volume 11(2)
Deen Dayal Upadhyaya Gorakhpur University (IN)
Openalex Percentile: Top 33%
Prenatal Screening and Diagnostics
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