Programmed Cell Death 1 (PD-1) is an immune check point regulating receptor and is a well-known target of immunotherapeutics. PD-1 may be activated through the binding of its ligand, Programmed Death Ligand 1 (PD-L1). It has been shown that protein-protein interaction disruption is possible in immune check point modulating receptors, such as TAMs and of the PD-1 / PD-L1 interface. A virtual screening of ~165,000 compounds was carried out, targeting a crevice in the PD-1 / PD-L1 interface. Small molecule docking using AutoDock Vina was performed against this site because it is proposed that it could cause inhibition of the PD-L1 induced PD-1 activation via interrupting the PD-1 / PD-L1 protein-protein interaction. “Hit” molecules that score well when docked to this pocket may inhibit the PD-1 / PD-L1 interaction.
Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein–Protein Interaction
