LC-MS/MS analysis and diverse biological activities of Hypericum scabrum L.: In vitro and in silico research
Ahmet Altay, Esma Yeniçeri, Parham Taslımı, Tuğba Taşkın‐Tok, Mustafa Abdullah Yılmaz, Ekrem Köksal
Abstract
This study was designed to determine the phytochemical composition of Hypericum scabrum extracts and investigate their biologically prominent activities. LC-MS/MS analysis revealed the presence of 29 phytochemicals in the plant extracts. The methanol extract (ME) exhibited the strongest DPPH radical scavenging (IC50: 18.57 µg/mL) and ferric ion reducing capacity (74.20 mg TEAC/g). Besides, ME displayed the most promising α-glycosidase (IC50: 1.88 µg/mL) and acetylcholinesterase AChE (IC50: 8.41 µg/mL) inhibitory effect. The XTT assay results displayed the strong anti-proliferative activity of ME against MCF-7 (IC50: 56.45 µg/mL) and MDA-MB-453 (IC50: 67.79 µg/mL) cell lines. Flow cytometry studies confirmed the mitochondrial-dependent apoptotic effect of ME in MCF-7 cells. Finally, molecular docking studies revealed the best binding affinity of the compounds 1, 9, and 41 with AChE and α-Gly, while 41 exhibited the best affinity against caspase-3, caspase-9 and DNA. To conclude, this study provides essential data for further in vivo studies.