Research and analysis of compounds designed to aid in treatment for SARS-CoV-2
Advisor(s)
Dr. John Thurmond; Illinois Mathematics and Science Academy
Discipline
Medical and Health Sciences
Start Date
21-4-2021 9:30 AM
End Date
21-4-2021 9:45 AM
Abstract
At the beginning of the school year in August 2020, the COVID-19 pandemic was still ongoing, resulting in a surge of formulating treatments for the disease. In early 2020, a project called COVID Moonshot was launched in the hopes of scientists sharing their findings and synthesizing compounds to formulate COVID therapeutics. As student researchers, compounds were designed along with other scientists’ work around the world through COVID Moonshot, using Computer-aided drug design programs such as SwissADME and SeeSAR. Specifically, the fragment x0397 was focused on, in which the fragment was designed into new compounds in SeeSAR and ran through SwissADME to determine whether or not they were usable by seeing whether or not Lipinski’s rules of 5 were violated. Eventually, the selected compounds will be synthesized for further development. Overall, the new compounds have a decent candidacy for the COVID Moonshot program because of the promising binding affinity values as well as passing Lipinski’s rules. After undergoing further testing, the compounds and information are hoped to be exercised in a way that further pushes the world into recovery from the COVID-19 pandemic.
Research and analysis of compounds designed to aid in treatment for SARS-CoV-2
At the beginning of the school year in August 2020, the COVID-19 pandemic was still ongoing, resulting in a surge of formulating treatments for the disease. In early 2020, a project called COVID Moonshot was launched in the hopes of scientists sharing their findings and synthesizing compounds to formulate COVID therapeutics. As student researchers, compounds were designed along with other scientists’ work around the world through COVID Moonshot, using Computer-aided drug design programs such as SwissADME and SeeSAR. Specifically, the fragment x0397 was focused on, in which the fragment was designed into new compounds in SeeSAR and ran through SwissADME to determine whether or not they were usable by seeing whether or not Lipinski’s rules of 5 were violated. Eventually, the selected compounds will be synthesized for further development. Overall, the new compounds have a decent candidacy for the COVID Moonshot program because of the promising binding affinity values as well as passing Lipinski’s rules. After undergoing further testing, the compounds and information are hoped to be exercised in a way that further pushes the world into recovery from the COVID-19 pandemic.