New insights into secondary metabolite potential in Hypericum perforatum, UPLC-ESI-MS/MS to novel phytochemical discovery with bioactivity assessment

Different anatomical components of Hypericum perforatum (H. perforatum) have been utilized by humans for generations as a natural remedy with pharmacological attributes. This work aimed to investigate the secondary metabolite potential of H. perforatum from algeria using LC-ESI-MS/MS to determine its phytochemical profile. LC-ESI-MS/MS analysis revealed 22 components, with isoquercitrin being the most abundant bioactive compound at a concentration of 4162 μg/g. The total phenolic and flavonoid contents were also quantified, with TPC equal 171.54 ± 0.79 mg GAE/g and TFC equal 144.26 ± 14.3 mg QE/g. The antioxidant capacity of the extract was evaluated using in vitro assays, showing strong activity with an ABTS IC50 of 0.173 mg/mL. The antiproliferative potential of the methanolic extract was assessed by the MTT assay on CAPAN-1, DLD-1, and the healthy L929 cell line. The extract exhibited significant antiproliferative effects on CAPAN-1 and DLD-1 cells, with IC50 values of 0.807 ± 0.06 mg/mL and 0.953 ± 0.03 mg/mL, respectively, whereas no cytotoxicity was observed on L929 cells. Furthermore, SwissADME was used to evaluate the pharmacokinetics and drug-likeness of the main compounds. These findings enhance the understanding of H. perforatum and may support its prospective applications in pharmaceutical and cosmetic industries.