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. Author manuscript; available in PMC: 2023 Feb 10.
Published in final edited form as: J Med Chem. 2022 Jan 11;65(3):2646–2655. doi: 10.1021/acs.jmedchem.1c02049

Figure 7.

Figure 7.

Relationship between ΔGbinding and substituent characteristics for pCNPhe variant. Plots analyzing the correlation between ΔGbinding and electrostatic potential, Log P, and polarizability for the peptidomimetic ligands UNC6212 (Kme2), UNC6349 (Ket2), and UNC6864 (Kei) for Y20 (green) and F44 (blue) positions with respect to the ΔGbinding for the pCNPhe variant are shown. Electrostatic potential, Log P, and polarizability were calculated in Spartan at the ωB97X-D/6–31G(d) level of theory. ΔGbinding error bars reflect the standard deviation for replicates or the highest individual error from an individual experiment among the replicates, whichever is greater. The same trends are observed for the pClPhe variant (Figure S10).