Table 2.
Thermodynamic parameters for the thermal inactivation of (A) SARS-CoV Mpro and (B) SARS-CoV-2 Mpro.T, the temperature in oC, kd, inactivation rate constant, t1/2, half-life of proteases (i.e., the time after which activity is reduced to one-half of the initial value), Dt, decimal reduction time (the time required to reduce the enzymatic activity to 10% of its original value), ΔG, activation free energy barrier, ΔH, activation enthalpy, ΔS activation entropy of thermal denaturation.
| A | ||||||||
|---|---|---|---|---|---|---|---|---|
| t (°C) | kd (min−1) | t1/2 (min) | t1/2 (h) | Dt (min) | Dt (h) | ΔH (kJ/mol) | ΔG (kJ/mol) | ΔS (kJ/mol*K) |
| 24 | 0.0003 | 2310.5 | 38.5 | 7675.3 | 127.9 | 13.9 | 82.6 | −0.23 |
| 37 | 0.0004 | 1732.9 | 28.8 | 5756.5 | 95.9 | 240.9 | 85.6 | 0.50 |
| 45 | 0.0011 | 630.1 | 10.5 | 2093.3 | 34.9 | 177.2 | 85.2 | 0.48 |
| 55 | 0.318 | 2.2 | 0.04 | 7.2 | 0.121 | 177.1 | 72.5 | 0.52 |
| 70 | 1.67 | 0.4 | 0.007 | 1.4 | 0.023 | 176.9 | 71.2 | 0.52 |
| B | ||||||||
|---|---|---|---|---|---|---|---|---|
| t (°C) | kd (min−1) | t1/2 (min) | t1/2 (h) | Dt (min) | Dt (h) | ΔH (kJ/mol) | ΔG (kJ/mol) | ΔS (kJ/mol*K) |
| 24 | 0.0002 | 3465.7 | 57.7 | 11512.9 | 191.8 | 38.9 | 83.6 | −0.15 |
| 37 | 0.0004 | 1732.8 | 28.8 | 5756.4 | 95.9 | 176.5 | 85.6 | 0.29 |
| 45 | 0.001 | 693.1 | 11.5 | 2302.5 | 38.3 | 176.4 | 85.4 | 0.28 |
| 55 | 0.23 | 3 | 0.05 | 10.01 | 0.2 | 176.4 | 73.4 | 0.31 |
| 70 | 1.2 | 0.6 | 0.009 | 1.9 | 0.03 | 176.2 | 72.2 | 0.32 |