Covid-19 Drug Discovery Research Using York 3-D Fragments
The O’Brien group collaborated with the von Delft group at the Diamond X-Chem facility in Oxford in the X-ray crystallographic screening of the York 3-D fragment library against the SARS-CoV-2 main protease (MPro). This has identified two York fragments that can be considered as starting points for drug discovery for treatment of covid-19. In a separate collaboration with Ahel and von Delft at Oxford, four York fragments were identified as hits by X-ray screening of the macrodomain protein. These fragments are also under development for development into lead-like compounds in the context of drug discovery.
For further details, see:
Main protease structure and XChem fragment screen
Nsp3 macrodomain ADP-ribosyl hydrolase and XChem fragment screen