Fig. 4: Raloxifene binds SARS-CoV-2 viral proteins.
A LiGen™ docking score values that predict the binding affinity of the molecules in the protein binding site are reported in shades of green: dark green corresponds to higher values. Scores are also reported (the higher, the better). B SPR experiments showed that S (upper panels), S1 (lower left panel) and RBD (lower right panel) bind raloxifene. The sensorgrams (black) were obtained after subtraction of the signal observed on the reference (empty) surface, to show the specific binding signal. For each target protein, the entire sensorgrams (i.e. association and dissociation phases) obtained with three raloxifene concentrations, were globally fitted using the 1:1 Langmuir model. Red lines show the resulting fitting while the corresponding binding parameters are shown in the insets: kon and koff are the association and dissociation rate constants, respectively, while KD is the equilibrium dissociation constants.
