Table 1.
Transition state thermodynamic results obtained from the SPR analysis of the association and dissociation of the six ligands considered in this study to the A2A AR
| Association (kcal/mol) | Dissociation (kcal/mol) | |||||
|---|---|---|---|---|---|---|
| ΔH‡ | − TΔS‡ | ΔG‡ | ΔH‡ | − TΔS‡ | ΔG‡ | |
| ZM241385 | 19.1 ± 2.2 | − 11.2 ± 2.2 | 7.9 | 40.6 ± 2.2 | − 19.8 ± 2.2 | 20.8 |
| XAC | 10.5 ± 1.7 | − 1.5 ± 1.7 | 9.0 | 16.7 ± 1.4 | 2.4 ± 1.4 | 19.1 |
| DPCPX | − 0.4 ± 1.0 | 10.0 ± 1.0 | 9.6 | 8.4 ± 0.9 | 11.0 ± 0.9 | 19.4 |
| KW3902 | 12.2 ± 2.4 | − 2.2 ± 2.4 | 10.0 | 11.2 ± 2.3 | 7.7 ± 2.3 | 18.9 |
| Z80 | 22.7 ± 1.8 | − 12.4 ± 1.8 | 10.3 | 19.6 ± 1.8 | − 1.4 ± 1.8 | 18.2 |
| Z48 | 5.5 ± 1.4 | 3.6 ± 1.4 | 9.1 | 16.5 ± 2.5 | 2.3 ± 2.5 | 18.8 |
Association and dissociation rate constants were measured at temperatures between 5 and 35 °C at 5 °C intervals