Writing in the Journal of the American Chemical Society, the scientists explained that they began by seeking “druggable pockets” in the stable structures of viral genetic material. Like keyholes, these pockets offer promising spaces to intervene with a precise medication. The team then used systematic chemistry, computational, and robotic drug discovery methods to find and perfect compounds able to function like the keys.
Their refined and optimized compound, dubbed Compound 6, led SARS-CoV-2 viral proteins to misfold, malfunction, and ultimately be destroyed and removed by cells, in lab tests. Notably, their work could benefit other viral diseases, too, said Matthew D. Disney, Ph.D., Institute Professor and Chair of the chemistry department at The Herbert Wertheim UF Scripps Institute for Biomedical Innovation & Technology.