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. 2021 Apr 5;32(1):108–116. doi: 10.1007/s13337-021-00658-7

Table 5.

Molecular Docking of 5 molecules with ACE2

Ligand name Binding energy (Δg) H- bond Inhibition constant (µm) Inter-molecular energy VDW-H bond desolvation Energy Ligand efficiency Electrostatic energy
5,7-Dimethoxyflavanone − 7.02 1 7.13 − 7.85 − 7.88 − 0.33 0.03
Coniferin − 4.93 7 244.86 − 7.94 − 7.9 − 0.21 − 0.04
Flavanone − 6.94 1 8.25 − 7.21 − 7.22 − 0.41 0.01
Podofilox − 7.54 1 2.97 − 8.91 − 8.71 − 0.25 − 0.21
Syringin − 5.07 6 190.91 − 8.37 − 8.29 − 0.2 − 0.08