TABLE 5.

Binding energy between selected targets and active compounds investigated in this study.

		Binding energy (kcal/mol)
Target	Structure	Loganin	Ursolic acid	Morroniside	Paeoniflorin	Albiflorin
IL1B	1T4Q	−6.6	−7.7	−6.9	−6.7	−6.8
IL6	IIL6	−6.6	−7.8	−6.6	−7.2	−7
VEGFA	1KAT	−6.8	−7.7	−6.3	−7.6	−7.3
TNF	1A8M	−6.5	−7.8	−6.7	−7.2	−7
STAT3	6NJS	−7.4	−8.2	−7.2	−7.2	−7.4
FOS	1G2E	−7	−7.7	−7.1	−7.4	−7.4
TP53	6MXZ	−6.8	−7.5	−6.3	−7.4	−6.5
LGALS3	4BL1	−8.2	−8.6	−8.8	−8.4	−8.3

Note: Grey cells with values in bold correspond to the compound-target relationship predicted in Figure 5.