Fig. 5.

Simulated binding mode of CBD on GPR55. The protein is shown as a cartoon. CBD (cyan) and critical residues (yellow) involved in interactions and pocket formation are shown in sticks. H-bonds are marked as red dashes, and hydrophobic interactions are marked as blue dashes. a CBD-GPR55 binding follows a hydrophobic cavity and backbone hinge model. Cyan spheres represent the location of the hydrophobic cavity. Red spheres represent the location of the hinge formation. b Static docking pose and ligand-residue interactions between the GPR55 protein model and CBD. c Pose and ligand-residue interactions between the GPR55 protein model and CBD for the coordinate at 120 ns (equilibrium stage) during the molecular dynamics simulation