TABLE 5.

Binding affinities of top-rated pose of ligand–receptor complex.

Compound name	1T2P	3ML3	3SY7	1XOU	1TR7
Chlorogenic acid	−6.4	−5.8	−7.8	−6.7	−6.9
Betulin	−6.3	−5.6	−8.7	−5.5	−5.8
Coumarin	−5.8	−4.9	−6	−5.5	−5.8
Ursolic acid	−6.4	−6.8	−9.3	−6.2	−7.3
Rutin	−6.7	−7.2	−9.5	−7.8	−7.8
Kaempferol	−6.7	−6.5	−7.6	−6.7	−6.9
18−β−Glycyrrhetinic acid	−6.3	−7.3	−8.7	−6.1	−7.6
Scutellarin	−7.3	−7.2	−9	−8	−8.2
Caffeic acid	−5.1	−4.7	−5.9	−4.9	−5.7
Quercitrin	−7.1	−6.7	−8.7	−6.2	−7.4
Esculetin	−5.3	−5.4	−6.5	−5.7	−5.5
Phloroglucinol	−4.6	−4	−4.9	−4.2	−5.3
Quercetin	−6.8	−6.6	−7.3	−6.9	−6.9
Betaine	−3.4	−3.2	−3.7	−3.2	−3.8
Esculin	−6.4	−6	−7.3	−5	−5.9
Polygodial	−5.5	−5.2	−6	−5.5	−6
Lagochilin	−5.3	−5.3	−6.7	−6.4	−5.9
Carvone	−4.6	−4.5	−5.4	−4.2	−5.5
Orientin	−7.2	−6.6	−8.6	−7	−7
Luteolin	−6.7	−6.5	−7.8	−5.8	−7

Binding affinity measured in kcal/mol.