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StructuralGenomicsConsortium / CNP24-NSP10_14-Frags

This project aims to develop potent inhibitors of NSP14/NSP10 for the treatment of (CoV-19), Targeting the NSP14 and NSP10 interacting interface with small molecules or peptides could be a smart strategy to obstruct replication processes of coronaviruses (CoVs).
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generating a new structure from Fragalysis #3

Closed Sharifahsabrina closed 4 months ago

Sharifahsabrina commented 6 months ago

Below I've proposed and created a few molecules that are based on overlapping fragments on Fragalysis. We have chosen to employ Lipinski's rule of five and rule of three to gauge the efficacy of these proposed molecules and fragments. image

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mattodd commented 4 months ago

Closing because we are clarifying that the request is for molecules that are commercially available, or trivial to synthesise. These designs are available in @Sharifahsabrina 's thesis here.