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. 2021 Oct 8;9:744376. doi: 10.3389/fchem.2021.744376

TABLE 3.

Calculated total binding energy, van der Waals energy, electrostatic energy, polar solvation energy, and SASA energy of the docking complexes.

Complex Binding energy (kJ/mol) van der Waals energy (∆EvdW) (kJ/mol) Electrostatic energy (∆Elec), (kJ/mol) Polar solvation energy (∆G polar) (kJ/mol) SASA energy (kJ/mol)
Sesamin −145.511 ± 17.054 −185.239 ± 12.497 −1.331 ± 2.720 56.328 ± 10.084 −15.269 ± 0.859
Sesamolin −211.240 ± 14.034 −244.688 ± 13.232 −2.394 ± 2.452 53.429 ± 6.865 −17.587 ± 0.839
Sesaminol −149.078 ± 9.043 −158.179 ± 8.593 −1.087 ± 1.785 24.598 ± 4.487 −14.410 ± 0.870
Sesamolinol −199.110 ± 15.881 −233.811 ± 13.828 2.162 ± 2.619 51.381 ± 7.632 −18.842 ± 0.954