An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus.
Scientists from around the world will come together virtually to celebrate the 50th anniversary of a key piece of the infrastructure for sharing scientific knowledge: the Protein Data Bank (PDB). The event will be hosted by the American Society for Biochemistry and Molecular Biology on May 4–5, 2021.
Researchers at the Department of Energy’s Oak Ridge National Laboratory investigated the binding properties of several hepatitis C drugs to determine how well they inhibit the SARS-CoV-2 main protease, a crucial protein enzyme that enables the novel coronavirus to reproduce. Inhibiting, or blocking, the protease from functioning is vital to stopping the virus from spreading in patients with COVID-19.
At a glance:
• Scientists develop AI-based tool to predict adverse drug events
• Such events are responsible for some 2 million U.S. hospitalizations per year
• The free, open-source system could enable safer drug design, optimize drug safety