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A call to arms


Science s COVID-19 reporting is supported by the Heising-Simons Foundation
ILLUSTRATION: STEPHAN SCHMITZ/FOLIO ART
In March 2020, as the 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 druglike compounds for likely activity against biomolecules thought to be involved in 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 our cells.
While SUEDE sifted through 14 billion compounds in just hours and spit out a hit, BAGEL made equally fast work of designing a lead. Nwankwo, CEO of a Massachusetts biotech startup called 1910 Genetics, asked a chemical company partner to synthesize the compounds. A week or so later, her team received the orders, added ....

University Of Massachusetts Medical School , United States , United Kingdom , Francis Collins , David Baker , Matthew Disney , Celia Schiffer , Ridgeback Biotherapeutics , Jen Nwankwo , Sandra Weller , Emmeline Blanchard , Mark Denison , Annaliesa Anderson , Evrys Bio , Daniel Vitt , Marla Weetall , Charlotte Lanteri , Andrew Mesecar , Richard Plemper , Lillian Chiang , Heising Simons Foundation , Walter Reed Army Institute Of Research , Purdue University , Scripps Research Institute , Gilead Sciences , National Institutes Of Health ,

Researchers race to develop antiviral weapons to fight the pandemic coronavirus


Science’s COVID-19 reporting is supported by the Heising-Simons Foundation.
In March 2020, as the 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 druglike compounds for likely activity against biomolecules thought to be involved in 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 our cells.
While SUEDE sifted through 14 billion compounds in just hours and spit out a hit, BAGEL made equally fast work of designing a lead. Nwankwo, CEO of a Massachusetts biotech startup called 1910 Genetics, asked a chemical company partner to synthesize the compounds. A week or so later, her team received the orders, added each compound in turn to human cells, an ....

University Of Massachusetts Medical School , United States , United Kingdom , Francis Collins , David Baker , Matthew Disney , Celia Schiffer , Ridgeback Biotherapeutics , Jen Nwankwo , Sandra Weller , Emmeline Blanchard , Mark Denison , Annaliesa Anderson , Evrys Bio , Daniel Vitt , Marla Weetall , Charlotte Lanteri , Andrew Mesecar , Richard Plemper , Lillian Chiang , Walter Reed Army Institute Of Research , Purdue University , Nature Communications , Uconn Health , University Of Washington , Vanderbilt University ,