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. 2022 Oct 3;13:939390. doi: 10.3389/fmicb.2022.939390

Table 5.

The binding energy values of molecular docking interaction.

Protein Ligand Lowest binding energy Lowest binding energy (NP) Mean binding energy Mean binding energy (NP) Inhibition Constant Ki (ligand) Inhibition Constant Ki (NP)
P. gingivalis Azadirachtin −8.12 −13.19 −8.11 −12.76 1.12 uM 216.08 pM
Quercetin −7.54 −12.31 −7.09 −12.08 2.95 uM 953.67 pM
A. faecalis Azadirachtin −7.89 −9.77 −7.87 −9.74 8.96 uM 159.60 nM
Quercetin −5.80 −8.59 −5.77 −8.46 55.94 uM 506.93 nM