Structure- and Dynamics-Driven Discovery of Small Molecule Inhibitors Targeting a Conserved Pocket near the Fusion Peptide in the Prefusion SARS-CoV‑2 S2 Glycoprotein Subunit
A structure- and dynamics-driven virtual screening to identify novel small-molecule inhibitors of SARS-CoV-2 cell entry by targeting a conserved pocket within the S2 subunit of the spike glycoprotein domain showed good conservation of the pharmacophore region among different SARS-related coronaviruses.