Predicting opioid receptor binding affinity of pharmacologically unclassified designer substances using molecular docking
Fig 7
(A) Chemical structure of the designer opioid Fu-F. (B) Binding concentration prediction of Fu-F (red). (C-D) Primary and secondary binding poses from the 10 independent docking simulations of Fu-F. In panels C and D, the key salt bridge (Asp147) and aromatic stacking interactions (His297) with Fu-F are highlighted by the red and blue mesh surfaces, respectively.