Metabolite profiling, in vitro biological activities, and in silico molecular docking analysis of Silene kuschakewiczii.

The current study aimed to determine the metabolites present in the crude methanol extract of Silene kuschakewiczii Regel & Schmalh. by UHPLC-MS. Total phenol and flavonoid contents were examined in the methanol extract. UHPLC-MS analysis allowed the characterisation of 20 metabolites in S. kuschakewiczii, mainly flavonoids and oleanane-type triterpenes. Among them, the major compounds were schaftoside-2-O-glucoside and saponarin. The crude methanol extract also showed the ability to scavenge free radicals effectively (DPPH: 13.12 mg TE/g; ABTS: 53.42 mg TE/g). In addition, it exhibited remarkable inhibitory activity on the studied enzymes (AChE: 2.03 mg GALAE/g; BChE: 1.67 mg GALAE/g; tyrosinase: 61.42 mg KAE/g; amylase: 0.19 mmol ACAE/g; glucosidase: 0.57 mmol ACAE/g) and a strong anti-proliferative effect against MCF-7 cancer cells (IC50: 16.44 μg/mL). Molecular docking studies showed that the major compound saponarin had the strongest affinity for interaction with the active site of tyrosinase, with a docking score of -12.5 kcal/mol.