COVID-19 therapeutics from computer aided drug design
Advisor(s)
Dr. John Thurmond; Illinois Mathematics and Science Academy
Discipline
Medical and Health Sciences
Start Date
21-4-2021 8:50 AM
End Date
21-4-2021 9:05 AM
Abstract
The Covid -19 pandemic has infected over a hundred million people worldwide, and millions of people have died due to not being able to receive the proper treatment to adequately fight the sickness. As a result of the limited time of Covid-19’s existence, the COVID moonshot project has been created to assist in the development of Covid antivirals. This project is an open source initiative made to assist scientists and design new compounds for further development. To create compounds for moonshot, SeeSAR, a virtual drug design platform, was utilized. An existing fragment was uploaded to SeeSAR and 106 new compounds were designed. To predict the effectiveness and safety of these new compounds their structures were analyzed by SwissADME, a free online tool designed to evaluate a compound's pharmacokinetics. Combining the data from the two programs, the top eight compounds were submitted to the COVID Moonshot project, where they will be synthesized and further tested.
COVID-19 therapeutics from computer aided drug design
The Covid -19 pandemic has infected over a hundred million people worldwide, and millions of people have died due to not being able to receive the proper treatment to adequately fight the sickness. As a result of the limited time of Covid-19’s existence, the COVID moonshot project has been created to assist in the development of Covid antivirals. This project is an open source initiative made to assist scientists and design new compounds for further development. To create compounds for moonshot, SeeSAR, a virtual drug design platform, was utilized. An existing fragment was uploaded to SeeSAR and 106 new compounds were designed. To predict the effectiveness and safety of these new compounds their structures were analyzed by SwissADME, a free online tool designed to evaluate a compound's pharmacokinetics. Combining the data from the two programs, the top eight compounds were submitted to the COVID Moonshot project, where they will be synthesized and further tested.