Table 1.
Peptide Inhibitors [10] | Experimental Binding Free Energies Values (ΔGexp)(kcal/mol) | |
---|---|---|
Native | Pro-Glu-Pro-Thr-Ala-Pro-Pro-Glu-Glu | −6.05 (IC50 = 54.0 uM), |
CP1 | Cyclo-(Ser-Gly-Trp-Ile-Tyr-Trp-Asn-Val) | −6.11 (IC50 = 48.6 uM), |
CP2 | Cyclo-(Ser-Gly-Trp-Ile-Ala-Trp-Asn-Val) | −5.00 (IC50 = 296.3 uM), |
CP3 | Cyclo-(Ser-Gly-Trp-Ile-Tyr-Trp-Ala-Val) | −6.50 (IC50 = 25.8 uM), |
ΔGexp: experimental free energies (kcal/mol).