Determination of LC-HRMS profiling, antioxidant activity, cytotoxic effect and enzyme inhibitory properties of Satureja avromanica using in vitro and in silico methods

In this study, some biochemical properties of Satureja avromanica such as phenolic content, anticholinergic, antidiabetic and antioxidant activities were determined. Ethanol extract of Satureja avromanica (EESA) and water extract of Satureja avromanica (WESA) were prepared and used for all biochemical analyses. The antioxidant capacities of EESA and WESA were evaluated by six different antioxidant methods. In addition, acetylcholinesterase (AChE), alpha-amylase and alpha-glycosidase enzyme inhibition of EESA were measured. EESA exhibited high inhibition effects against alpha-amylase, alpha-glycosidase and AChE enzymes. The IC50 values of EESA against AChE (1.909 mu g/mL), alpha-glycosidase (0.701 mu g/mL), and alpha-amylase (0.517 mu g/mL) were determined. The phenolic composition of Satureja avromanica was evaluated by LC-HRMS. Rosmarinic acid (19,961.31 mg/kg), hederagenin (18,895.43 mg/kg) and hesperidin (11,409.60 mg/kg) were identified as major compounds in EESA. Rosmarinic acid (9209.82 mg/kg), hesperidin (2384.73 mg/kg) and hispidulin (1530.03 mg/kg) were identified as major compounds in WESA. Molecular docking analysis showed possible roles of hesperidin, hederagenin, and rutin in AChE, alpha-amylase and alpha-glycosidase enzymes inhibition. Also, the highly cytotoxic effect of EESA, which is thought to be caused by phenolic compounds, was observed in A495 cancer cells.

Automated summary

In this study, the biochemical properties of Satureja avromanica, including phenolic content, anticholinergic, antidiabetic, and antioxidant activities, were determined. The extracts of Satureja avromanica were prepared and used for analysis. The extracts showed high inhibition effects against certain enzymes and were found to contain major compounds such as rosmarinic acid, hesperidin, and hispidulin. Molecular docking analysis also suggested the potential roles of certain compounds in enzyme inhibition. Additionally, the extracts exhibited strong cytotoxic effects in cancer cells.