Event Title

Analysis of Compounds Designed from Fragment #x0398 for SARS-CoV-2 Main Protease

Advisor(s)

Dr. John Thurmond; Illinois Mathematics and Science Academy

Discipline

Chemistry

Start Date

21-4-2021 9:10 AM

End Date

21-4-2021 9:25 AM

Abstract

With the current COVID-19 pandemic, the need for treatments has become one of the world’s top priorities. At the time that we started this project, there were no approved treatments or vaccines to treat the virus, so our project focused on developing an antiviral for COVID-19. Using Computer Aided Drug Design programs called SeeSar and Swiss ADME, we designed new compounds from fragment #x0398. We then docked and generated different possible compounds derived from the fragment. Data has shown that several compounds have good binding affinity with the SARS-CoV-2 main protease. This means that these compounds have the potential to inhibit the COVID-19 main protease, creating antiviral drugs.

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Apr 21st, 9:10 AM Apr 21st, 9:25 AM

Analysis of Compounds Designed from Fragment #x0398 for SARS-CoV-2 Main Protease

With the current COVID-19 pandemic, the need for treatments has become one of the world’s top priorities. At the time that we started this project, there were no approved treatments or vaccines to treat the virus, so our project focused on developing an antiviral for COVID-19. Using Computer Aided Drug Design programs called SeeSar and Swiss ADME, we designed new compounds from fragment #x0398. We then docked and generated different possible compounds derived from the fragment. Data has shown that several compounds have good binding affinity with the SARS-CoV-2 main protease. This means that these compounds have the potential to inhibit the COVID-19 main protease, creating antiviral drugs.