Repurposing of FDA-approved HIV and HCV inhibitors for SARS-COV-2 treatment in resource-limited settings

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ABSTRACT

  • 1Sithole PLN,
  • 2Gededzha MP ,
  • 3Moeng K ,
  • 4Selabe SG ,
  • 5Mashaba D
  • 1Department of Virology, School of Medicine, Sefako Makgatho Health Science University, Ga-Rankuwa
  • 2Department of Virology, School of Medicine, Sefako Makgatho Health Science University, Ga-Rankuwa
  • 3Department of Virology, School of Medicine, Sefako Makgatho Health Science University, Ga-Rankuwa
  • 4Department of Virology, School of Medicine, Sefako Makgatho Health Science University, Ga-Rankuwa
  • 5Department of Virology, School of Medicine, Sefako Makgatho Health Science University, Ga-Rankuwa

Background

SARS-CoV-2 remains a global health challenge, with the Omicron variant exhibiting increased transmissibility and immune evasion. Despite vaccine availability, specific antiviral treatments for SARS-COV-2 remain limited. In resource-limited settings, where access to novel drugs may be restricted, repurposing existing FDA-approved treatments offers a cost-effective and timely intervention strategy. Using cutting-edge bioinformatics tools, this study aimed to identify potential SARS-CoV-2 protease and polymerase inhibitors among FDA-approved drugs for HIV and Hepatitis C virus (HCV) treatments, demonstrating how co-science can drive innovation.

Method

SARS-CoV-2 genome sequences were downloaded from the GISAID database and aligned using Clustal X. The nucleotide sequences were translated into amino acid using Bioedit, and the tertiary structure for the NSP12 (RNA-dependent RNA polymerase) and NSP5 (protease) were predicted using the Swiss model homology modelling. FDA-approved inhibitors were analyzed for pharmacokinetics and toxicity
sing ADMET and evaluated for binding affinity via molecular docking (CB dock).

Result

Pharmacokinetics analysis using ADMET highlighted favourable profiles for inhibitors like Adefovir and Tenofovir. Docking studies showed that Remdesivir and Rilpivirine have high binding affinities to NSP12 (-8.3 Vina score for both), while Paritaprevir and Simeprevir demonstrated high binding affinities to NSP5 (-10.5 and -10.0, respectively). These results suggest that these inhibitors could be effective for treating SARS-CoV-2.

Conclusion

The study highlights the potential of repurposing FDA-approved HIV and HCV inhibitors as therapeutic options for SARS-CoV-2 in resource-limited settings. The findings of the study suggest that Remdesivir, Rilpivirine, Paritaprevir and Simeprevir could be used in managing COVID-19 in settings with limited resources compared to other antivirals. Bioinformatics strategies enable cost-effective drug discovery by leveraging existing antiviral treatments to address SARS-CoV-2 without the need for new therapy development.
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PRESENTING AUTHOR

Ms. Philiswa Sithole, BSc in Micro and Biochem(completed),BSc Hons Medical Virology(completed),MSc Medical Virology(In Progress)

Student, Sefako Makgatho Health Sciences University

Nomakhwezi Sithole is a BSc Honours graduate in Medical Virology from the Sefako Makgatho Health Sciences University, currently pursuing a Master of Science in Medicine (Virology). Her research focuses on molecular docking studies of antiviral agents targeting SARS-CoV-2 proteins, with a particular interest in drug repurposing strategies for resource-limited settings. Passionate about translational research and global health, she aims to contribute to innovative therapeutic solutions for emerging viral diseases.
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