Figure 11: Molecular modeling of terpene binding with the A_2AR and the mu opioid receptor (MOR).

The 5 highest ranking poses of each terpene were docked to the A_2AR and the MOR as described in the Methods. TMH = transmembrane helix; EC = extracellular domain. Docked illustrations are shown in the top-down view of the orthosteric binding pocket. A) Left – Docking poses of the terpenes in the A_2AR binding pocket, along with noted interacting residues. Right – The 16 high confidence interacting residues for the terpenes are shown. Green = hydrophobic residues, Cyan = hydrophilic residues. B) Left – Docking poses of the terpenes in the MOR binding pocket, along with noted interacting residues. Tyr326 and Asp147 are particularly noted, since the terpenes lack key bonds with these residues, which may explain their lack of activity at the MOR. Right – The 17 high confidence interacting residues for the terpenes are shown. Green = hydrophobic residues, Cyan = hydrophilic residues.