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A number of peptidomimetic Mpro inhibitors have been described in the literature and this blog post by Chris Southan may be of interest. It’s also worth mentioning that fragmentscreens have been run against SARS-CoV-2 Nsp3 macrodomain at UCSF and Diamond since there are no known inhibitors for this target.
The second virtual screen focused on optimization of a hit from a previous crystallographic fragmentscreen. Fragment-to-lead optimization was guided by searches in a library of millions of compounds combined with docking screens to select the best candidate. Journal of the American Chemical Society.
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