214 G.A. Thakur et al.
Fig. 3.Representative C-1′side chain-modified analogs
Fig. 4.Molecular modeling of (–)-∆^8 -THC ligands with different substitution in the C-1′side chain position
using molecular mechanics/molecular dynamics. CB 1 /CB 2 receptor-excluded volume map (red contours)and
essential volume map (white grid)fortheC-1′subsite in∆^8 -THC series. Thered arearepresents the free
space within the receptor region that accommodates high-affinity C-1′-substituted ligands, whereas, C-1′
substituents falling within thewhite gridexperience unfavorable or less favorable interactions at the binding
site