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SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragments

Molecular Design

The binding mode observed for 1 is shown below in Figure 1 and it’s likely that the groove region will need to be more fully exploited (this article will give you an idea of the sort of thing I have in mind) in order to achieve acceptable potency if the aldehyde warhead is replaced by nitrile. by forming a ring).