Modeling COVID-19 antivirals with Computer Aided Drug Design in conjunction with the COVID Moonshot project
Advisor(s)
Dr. John Thurmond; Illinois Mathematics and Science Academy
Discipline
Chemistry
Start Date
21-4-2021 8:50 AM
End Date
21-4-2021 9:05 AM
Abstract
In late 2019 to early 2020, SARS-CoV-2 emerged and caused the 2019-novel-coronavirus (COVID-19) to transmit throughout the globe in a short period of time. Due to the sudden emergence of the virus, specific antiviral drugs are still in the process of being manufactured, which could be necessary for treating COVID-19 patients. To accelerate the development of antiviral drugs, the COVID Moonshot, a crowdsourced drug-discovery model, provides fragments that can be used to inspire compounds to be submitted to and synthesized by the COVID Moonshot team. Using SeeSAR, a computer aided drug design software, the x0669 fragment was chosen from the COVID Moonshot project and grown over the course of multiple weeks into several compounds. Ten of those compounds showed high affinity and beneficial properties and were submitted to the project, which will be tested for their usability as a part of future COVID-19 antiviral drugs.
Modeling COVID-19 antivirals with Computer Aided Drug Design in conjunction with the COVID Moonshot project
In late 2019 to early 2020, SARS-CoV-2 emerged and caused the 2019-novel-coronavirus (COVID-19) to transmit throughout the globe in a short period of time. Due to the sudden emergence of the virus, specific antiviral drugs are still in the process of being manufactured, which could be necessary for treating COVID-19 patients. To accelerate the development of antiviral drugs, the COVID Moonshot, a crowdsourced drug-discovery model, provides fragments that can be used to inspire compounds to be submitted to and synthesized by the COVID Moonshot team. Using SeeSAR, a computer aided drug design software, the x0669 fragment was chosen from the COVID Moonshot project and grown over the course of multiple weeks into several compounds. Ten of those compounds showed high affinity and beneficial properties and were submitted to the project, which will be tested for their usability as a part of future COVID-19 antiviral drugs.