Table 2. Thermodynamic parameters and binding data for the interaction of the homo- and heteroglycopeptide dendrimers with LecB a .
| Ligand | n Fuc | n b | ΔH [kcal mol–1] | –TΔS [kcal mol–1] | ΔG [kcal mol–1] | K D [nM] | r.p./nFuc c |
| FucOCH3 | 1 | 0.77 ± 0.03 | –9.87 ± 0.24 | 1.17 ± 0.24 | –8.70 ± 0.02 | 430 ± 10 | 1.8 |
| FD0 | 1 | 0.80 ± 0.01 | –9.93 ± 0.33 | 0.99 ± 0.05 | –8.34 ± 0.02 | 770 ± 20 | 1 |
| Het1G1-Cys | 1 | 1.64 ± 0.00 | –4.82 ± 0.01 | –2.79 ± 0.03 | –7.61 ± 0.024 | 2630 ± 110 | 0.30 |
| Het2G1-Cys | 1 | 2.14 ± 0.03 | –3.53 ± 0.024 | –4.11 ± 0.02 | –7.63 ± 0.09 | 2570 ± 400 | 0.30 |
| FD1 | 2 | 0.28 ± 0.01 | –23.87 ± 1.21 | 14.43 ± 1.10 | –9.43 ± 0.10 | 123 ± 2 | 3.1 |
| FD1-Cys | 2 | 0.65 ± 0.01 | –10.71 ± 0.01 | 1.81 ± 0.02 | –8.89 ± 0.05 | 300 ± 25 | 1.3 |
| Het1G2 | 2 | 0.40 ± 0.05 | –15.9 ± 0.05 | 6.89 ± 0.30 | –8.94 ± 0.01 | 276 ± 1.5 | 1.4 |
| Het2G2 | 2 | 0.66 ± 0.05 | –15.2 ± 0.02 | 6.28 ± 0.03 | –8.92 ± 0.01 | 292 ± 57 | 1.3 |
| Het3G2 | 2 | 0.31 ± 0.01 | –25.15 ± 2.75 | 15.91 ± 2.82 | –9.23 ± 0.09 | 179 ± 27 | 2.1 |
| Het4G2 | 2 | 0.21 ± 0.01 | –35.25 ± 0.02 | 25.79 ± 0.15 | –9.43 ± 0.03 | 121 ± 5 | 3.2 |
| Het7G2 | 2 | 0.30 ± 0.02 | –25.1 ± 0.02 | 16.14 ± 0.24 | –8.96 ± 0.02 | 327 ± 6 | 1.2 |
| Het8G2 | 2 | 0.28 ± 0.02 | –24.8 ± 0.06 | 15.61 ± 0.07 | –9.17 ± 0.02 | 193 ± 4 | 2.0 |
| FD2 | 4 | 0.16 ± 0.01 | –40.9 ± 1.25 | 30.83 ± 1.7 | –9.80 ± 0.09 | 66 ± 1 | 2.9 |
| FD2x | 4 | 0.59 ± 0.02 | –9.72 ± 0.9 | 0.99 ± 0.9 | –9.62 ± 0.02 | 88 ± 2 | 2.2 |
aThermodynamic parameters and dissociation constants KD are reported as an average of two independent runs from ITC in 20 mM Tris, 100 mM NaCl, 100 μM CaCl2, pH = 7.5. Isothermal Titration Calorimetry (ITC) data are for LecB binding. Titration concentrations for Ligand/LecB are indicated in brackets: Me-α-fucose (0.44 mM/0.0558 mM), FD0 (0.5 mM/0.044 mM), Het1G1-Cys (0.0457 mM/0.5 mM), Het2G1-Cys (0.0497 mM/0.95 mM), FD1 (0.25 mM/0.0496 mM), FD1-Cys (0.0497 mM/0.5 mM), Het1G2 (0.42 mM/0.042 mM), Het2G2 (0.42 mM/0.042 mM), Het3G2 (0.15 mM/0.042 mM), Het4G2 (0.24 mM/0.042 mM), Het7G2 (0.24 mM/0.042 mM), Het8G2 (0.24 mM/0.042 mM), FD2 (0.1 mM/0.028 mM), FD2x (0.052 mM/0.5 mM).
b n defines the stoichiometry of the binding.
cRelative potency per fucoside r.p./nFuc = KD(FD0)/KD(ligand)/n, nFuc = number of copies of fucosides in the glycopeptide dendrimers. See ESI Fig. S107 for ITC plots.