Table 1. Structures, IC₅₀, K_i, and ΔG_Bind of PPIs.

^aIC₅₀ is the concentration of PPIs required to inhibit 50% of the recombinant TE activity, as measured using the 4-MUH fluorogenic assay.

^bK_i, the inhibition constant, was calculated from the IC₅₀ using the Cheng–Prusoff equation.³⁷

^cΔG_Bind, the binding free energy, was calculated by Poisson–Boltzmann surface analysis (PBSA), where ΔG_bind = G_complex – G_TE – G_PPI and G = G_solute + G_solvent.