Fig. 1: Docking of a 74-million molecule library against the CB1R.
From: Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects
a Workflow of the docking campaign. b Overlap of physical properties of CB1R ligands versus the top docked and purchased ligands. c Single-point radioligand displacement data for the 46 tested compounds. d 2D structures and properties of the nine hits. e Secondary binding assay for the top four hits. f Docked poses of the top four hits with H-bonds and other binding pocket residues indicated. Data in c & e represent mean ± SEM from three independent experiments in triplicate. Created in BioRender. Stevens, J. (2025). https://BioRender.com/b34k743.
