The very large Mpro screening experiment yielded an exceptionally rich set of information, with extensive opportunities for fragment growing and merging; we are thus anxious to ensure the high quality data is as effective as possible at seeding anti-COVID-19 efforts around the world.
We have joined forces in a fully open initiative - the COVID MoonShot - to drive these results as far towards clinical impact as possible, by crowdsourcing molecule design from medicinal chemists worldwide and converting these into physical compounds and assays.
To date (16th June 2020), over 500 MoonShot compounds have been screened in the XChem lab and in a fluorescence-based assay by our collaborators at the Weizmann Institute, as well as in a mass-spec-based assay at the University of Oxford Chemistry Department.
Additionally, on the 11th of May, the first wave of structures were. These, and all our other Mpro structures, can be viewed online in our Fragalysis viewer.
If you are interested in providing physical compounds to the Moonshot, there is now a fully-defined process for getting them tested.
Start with registering them on the PostEra website; and then for the details on formatting and shipping, read here. (Some of this reiterates the general requirements we have for testing compounds at the XChem facility.)
Content last updated 12th of June, 2020
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