Discovery and functional evaluation of diverse novel human CB1 receptor ligands

Abstract

Ligand-based virtual screening with a 3D pharmacophore led to the discovery of 30 novel, diverse and drug-like ligands of the human cannabinoid receptor 1 (hCB1). The pharmacophore was validated with a hit rate of 16%, binding selectivity versus hCB2, and expected functional profiles. The discovered compounds provide new tools for exploring cannabinoid pharmacology.