Activities of Some Cannabinoids as Predicted by Molecular Docking Computation and Confirmed by Cell Calcium Assay

Many cannabinoids are derived from Cannabis and exhibit a diverse range of pharmacological properties. Predictions of bioactivities of these compounds were conducted by molecular docking computation on two transient receptor potential (TRP) receptors (TRPV1 and TRPC5) found on human glioma (U-87 MG) cells. These predictions were experimentally confirmed by monitoring changes in intracellular calcium concentration in U-87 MG cells treated with cannabinol (CBN), cannabichromene (CBC), and cannabicyclol (CBL), as measured using a fluorescence microplate reader. The results indicate that CBN and CBC are bioactive, whereas CBL exhibits minimal activity. These findings are consistent with predictions obtained from molecular docking computation based on AutoDock Vina.