An arsenal of potential treatments takes aim at proteins that are key to the virus’ life cycle.  In March 2020, as the full scope of the COVID-19 pandemic was coming into view, Jen Nwankwo and colleagues turned a pair of artificial intelligence (AI) tools against SARS-CoV-2. One newly developed AI program, called SUEDE, digitally screens all known drug-like compounds for likely activity against biomolecules thought to be involved in the disease. The other, BAGEL, predicts how to build inhibitors to known targets. The two programs searched for compounds able to block human enzymes that play essential roles in enabling the virus to infect its host cells. While SUEDE sifted through 14 billion compounds in just a few hours and spat out a hit, BAGEL created equally fast new leads.

 

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