Figure 5.

Correlation between the displacement of the ring of the fourth residue predicted by docking and the experimental µOR affinity. The relationship for (A) the α/β-peptides reported in this work, (B) derivatives reported in Reference [9]. The ring displacement is expressed as the RMSD of Xxx⁴ ring in the considered derivative (as predicted by docking) compared to N-Me-Phe⁴ ring in DAMGO (6DDF structure [31]). The points marked with dotted texture are arbitrarily chosen 5.82 for pIC₅₀ being less than 6.