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Organic and Medicinal Chemistry Letters
Figure 6 | Organic and Medicinal Chemistry Letters

Figure 6

From: Cannabinoid receptor type 2 (CB2)-selective N-aryl-oxadiazolyl-propionamides: synthesis, radiolabelling, molecular modelling and biological evaluation

Figure 6

Predicted binding modes of 6e, 6a, 6h to human CB2 model after docking with GOLD. All compounds bind with their carbazole moiety (ring A, cf. Figure 1) in the binding pocket indicated by black dots. The figure was created with the software MOE (Chemical Computing Group Inc., Montreal, Canada) using the module PostDock [45]: The visibility of the surfaces is proportional to their binding energies based on Boltzman statistics. The surfaces are colour-coded with respect to the rmsd difference to the ligand with the lowest binding energy (from yellow to blue). As reference, the best-docked ligand is shown with cyan sticks.

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