Topic automatically created for discussing the designs at:
https://covid.postera.ai/covid/submissions/EDJ-MED-4c7486ba
Hi @edgriffen
I would question the wisdom of using a secondary amide as a linker (especially given your concerns about the secondary amide in the quinolone series). It may be worth thinking a bit more about the interactions that you’re hoping to form with the protein since the polar atoms in the substituent need to interact with polar atoms on the protein molecular surface for increased potency. Consideration of molecular complexity suggests that it will become increasingly difficult to form optimal polar interactions as polar atoms are added to a ligand structure. Polar atoms in ligand structures need to be fully exposed to solvent if they don’t form polar interactions with the protein. This is more difficult to engineer when the polar atoms are numerous. I think that you would need a very strong motivation for synthesizing EDJ-MED-4c7486ba-8 or EDJ-MED-4c7486ba-11.