Table 1.

Inhibition of the spike S1 binding to NRP1 by the compounds selected using molecular docking calculations.

Compound	Structure	ChemPLP Score 1	Inhibition of Spike-NRP1 Binding [%] 2
1		75.5	45.43 ± 1.58
2		74.5	34.81 ± 1.09
3		74.0	16.35 ± 1.95
4		76.0	25.38 ± 0.82
5		75.4	15.67 ± 1.02
6		75.0	35.62 ± 1.43
7		77.3	9.37 ± 0.59
8		77.1	13.00 ± 6.39
9		75.7	35.25 ± 4.35
10		73.1	41.52 ± 0.57
11		73.8	32.16 ± 1.28
12		80.7	38.71 ± 1.68
13		74.3	31.86 ± 2.79
14		77.3	19.46 ± 2.37
15		76.7	25.48 ± 5.11
16		74.6	61.44 ± 2.48
17		77.1	63.58 ± 1.27
18		73.0	16.88 ± 0.31
19		72.7	9.73 ± 0.04
20		72.1	17.56 ± 1.65
21 EG00229 [33]			50.57 ± 2.26
22 [43]			28.71 ± 0.80

¹ Molecular docking score. ² Inhibition of the spike S1 binding to NRP1 obtained at the compound concentration of 100 μM and presented as mean ± SD percentage of three measurements.