In Silico Elucidation of the Molecular Mechanism Defining the Adverse Effect of Selective Estrogen Receptor Modulators
Figure 8
Correlation of Binding Affinity Scores by Docking Molecular Analogs of N-Moiety and C-Moiety of SERMs to ERα and SERCA Proteins
(A,B) N- and C-moieties to ERα and SERCA TG1 sites, respectively.
(C,D) N- and C-moieties to ERα and SERCA BHQ site, respectively. The red line represents the linear regression of docking scores. The green line indicates the optimal score correlation between two identical binding sites. The docking score is from eHits [31]. Docking score correlations from Surfex [32] show the same trends although the absolute values are different (unpublished data).