Table 1.
Binding free energy (kcal.mol−1), binding affinity and dissociation constant of CD147, CD209, CD299 and ACE2 in complex with SARS-CoV-1 and SARS-CoV-2 RBD.
| Targets | RBD-CoV-2 |
RBD-CoV-1 |
||||
|---|---|---|---|---|---|---|
| ΔG (kcal mol−1) | Kd | MM-GBSA ΔEbinding |
ΔG (kcal mol−1) | Kd | MM-GBSA ΔEbinding |
|
| CD147 | -12.2 | 1.2E-09 | -43.62 | -13.6 | 1.0E-10 | -63.29 |
| CD299 | -19.3 | 7.3E-15 | -69.42 | -15.5 | 4.2E-12 | -63.87 |
| CD209 | -18.7 | 2.0E-14 | -71.14 | -17.6 | 1.3E-13 | -62.22 |
| ACE2 | -10.5 | 2.0E-08 | -46.77 | -10.8 | 1.2E-08 | -56.26 |
The bold formatted values presented a higher binding affinity of CD299 models in complex with SARS-CoV-2 RBD and SARS-CoV-1 RBD.