Accelerating antiviral drug discovery: lessons from COVID-19
We analyze the force multipliers behind rapid COVID drug discovery efforts. Our work draws from expertise in multiple leading pharmaceutical companies with successful antivirals in the clinic as well as public sector efforts. We suggest that the key bottleneck is the lack of quality chemical probes around understudied viral targets, and building an arsenal of probes covering viruses of pandemic concern is a worthwhile and tractable challenge.
Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed de novo design model
We show how machine learning expedite the discovery of SARS-CoV-2 main protease inhibitors, validated with biochemical and antiviral assays. The key to our approach is the use of machine learning for de novo design, coupled with synthesis route prediction.
Crowdsourcing drug discovery for pandemics
We launch the COVID Moonshot initiative, an open-science initiative that aims to discovery oral antiviral against SARS-CoV-2 targeting the main protease.