Skip to main content
. 2019 Sep 25;24(19):3474. doi: 10.3390/molecules24193474

Table 2.

Free-binding energies and inhibition constant obtained by molecular docking of the compounds identified in the S. dulcis crude extract with the COX-2 structure.

Ligand ΔGbind (kcal.mol−1) * Ki (μM) **
Suspensaside −9.15 0.19
Nicotiflorin −8.26 0.88
Diosmetin −7.97 1.44
Rhamnocitrin −7.72 1.81
Gonzalitosin I −7.54 1.98
Kaempferol-3-O-pentoside −7.45 3.44
Acteoside −7.33 4.22
Meloxicam −8.89 0.30

* ΔGbind, binding energy. ** Ki, inhibition constant.