Thrilled to share our preprint on structure-based discovery and optimization of SARS-CoV-2 macrodomain (Mac1) inhibitors. We present several low- to sub-micromolar inhibitors and atomic SAR thanks to >150 crystal structures! biorxiv.org/content/10.110…
BIG shoutout to Galen (@fraser_lab) for soaking roughly 300 molecules and determining many many many many crystal structures at 1 Å resolution. All of which are about to be released in the PDB @buildmodels and fragalysis.diamond.ac.uk (Thanks @Darenfearon)