Drug Repurposing of Potential Inhibitors to Two Proteases of the Novel Coronavirus
Advisor(s)
Dr. John Thurmond; Illinois Mathematics and Science Academy
Discipline
Medical and Health Sciences
Start Date
21-4-2021 10:25 AM
End Date
21-4-2021 10:40 AM
Abstract
As the SARS-CoV-2 global pandemic rages on with new variants on the rise, rapid and effective therapeutic developments are needed more than ever before. Analyses that the repurposing of already approved FDA drugs has the potential to quickly showcase on the market drugs that can inhibit the replication of new viruses. Repurposing is especially helpful for SARS-CoV-2 considering the nature of the virus to rapidly develop mutations that lead to new variants. In addition to inhibiting the virus’ main protease, the rationale of our study also depended on a drug’s ability to inhibit the replicase polyprotein complex of SARS-CoV-2 as well. Our study consisted of antivirals that treated illnesses that shared symptoms and virus activity like SARS-Cov-2. Our docking of twelve FDA approved antiviral drugs showed that all of them were able to bind to one of our two target complexes, some which had high affinity and good medicinal chemical properties, suggesting their potential to be further analyzed and utilized to treat SARS-Cov-2 and its variants by computer aided drug design.
Drug Repurposing of Potential Inhibitors to Two Proteases of the Novel Coronavirus
As the SARS-CoV-2 global pandemic rages on with new variants on the rise, rapid and effective therapeutic developments are needed more than ever before. Analyses that the repurposing of already approved FDA drugs has the potential to quickly showcase on the market drugs that can inhibit the replication of new viruses. Repurposing is especially helpful for SARS-CoV-2 considering the nature of the virus to rapidly develop mutations that lead to new variants. In addition to inhibiting the virus’ main protease, the rationale of our study also depended on a drug’s ability to inhibit the replicase polyprotein complex of SARS-CoV-2 as well. Our study consisted of antivirals that treated illnesses that shared symptoms and virus activity like SARS-Cov-2. Our docking of twelve FDA approved antiviral drugs showed that all of them were able to bind to one of our two target complexes, some which had high affinity and good medicinal chemical properties, suggesting their potential to be further analyzed and utilized to treat SARS-Cov-2 and its variants by computer aided drug design.