Table 5.
Binding score (kcal/mol) for Pulicaria odora flavonoids in comparison with vonoprazan responsible for proton pump inhibition.
| Protein | Compound | Binding scores (kcal/mol) |
|---|---|---|
| Gastric proton pump (PDB ID: 5 YLU) | Vonoprazan | −9.5 |
| M1: Kaempferol 3-O-glucoside 7-O-rhamnoside | −8.2 | |
| M2: Quercetin 3-O-rutinoside (rutin) | −10.2 | |
| M3: Apigenin 7-O-neohesperidoside (Rhoifolin) | −9.5 | |
| M4: Chrysoeriol 7-neohesperidoside | −9.5 | |
| M5: Isorhamnetin 3-O-glucoside | −7.9 | |
| M6: Chrysoeriol 7-O-glucoside (Thermopsoside) | −9.5 | |
| M7: Quercetin | −9.0 | |
| M8: Luteolin | −9.3 | |
| M9: Isorhamnetin | −8.4 |