The obtained values of the molecular docking and FPL calculations.
| No. | Name | ChemPLP | F Max a | W b | ΔGPreFPLc | k Pre |
|---|---|---|---|---|---|---|
| 1 | 48 | 86.3 | 627 ± 127.1 | 70.6 ± 9.2 | −8.62 | 0.29 |
| 2 | 25 | 77.8 | 555.3 ± 60.5 | 61.7 ± 8.2 | −8.38 | 1.25 |
| 3 | 40 | 76.9 | 711.7 ± 77.9 | 75.7 ± 13 | −8.90 | 0.54 |
| 4 | 23 | 72.6 | 827.6 ± 195 | 95.9 ± 22.3 | −9.29 | 0.67 |
| 5 | 46 | 71.7 | 669.9 ± 97.2 | 78.1 ± 9.8 | −8.76 | 0.85 |
| 6 | 52 | 70.6 | 753.3 ± 110 | 77.5 ± 10.5 | −9.04 | 0.43 |
a
The obtained value of the mean rupture force FMax.
b
The recorded metric of the pulling work W.
c
The predicted binding free energy ΔGPreFPL was estimated using formula (1). The calculated error was the standard error of the average. The unit of force, energy, and inhibition constant are pN, kcal mol−1 and μM, respectively.