Screening for the Key Hepatoprotective Constituent From Odontites vulgaris Moench

ABSTRACT The aim of the present study was to screen for the key hepatoprotective constituents of Odontites vulgaris Moench. As a result, the D30 elution fraction, separated by D101 macroporous adsorption resin column chromatography, had the most prominent protective effect on carbon tetrachloride‐damaged HepG2 cells, the most significant 2,2′‐azinobis‐(3‐ethylbenzothiazoline‐6‐sulfonic acid) radical scavenging ability, and the highest total phenol and total flavonoid contents, indicating that the D30 elution fraction may be the active fraction for liver protection. Ultra‐performance liquid chromatography analyses revealed that ipolamiide, 8‐epiloganin, and acteoside were the main components. Results of the bioactivity evaluation demonstrated that acteoside had hepatoprotective activity, with a half‐maximal effective concentration value of 35.32 ± 5.33 µM. Results of network pharmacology and molecular docking showed that acteoside had an affinity binding energy of −6.53 and −5.59 kcal/mol to matrix metalloproteinase‐12 (MMP‐12) and HSP90AA1, respectively, indicating good binding between acteoside and MMP‐12 and HSP90AA1. All the findings in the present study reveal that acteoside may be the key hepatoprotective constituent of O vulgaris , which deserves further study.