Bioactive and in silico analysis of Polygonum equisetiforme reveals potent antioxidant, anticancer, and enzyme-inhibitory properties

Polygonum equisetiforme (P. equisetiforme) has garnered significant attention owing to its remarkable pharmacological properties. It is utilized as a health supplement in numerous countries and exhibits distinctive food and medicine homology characteristics. Despite its substantial importance in the fields of medicine, ecology, and economics, there has been a notable lack of research investigating the phytochemical constituents and pharmacological activities of P. equisetiforme originating from Turkey. This study delves into the chemical profile and bioactive properties of P. equisetiforme from Turkish flora. A series of in vitro antioxidant assays were conducted to evaluate the antioxidant potential of the extracts. Additionally, the extracts underwent examination for cholinesterases (AChE and BChE), tyrosinase, α-amylase, and α-glucosidase. The effects of P. equisetiforme extracts on various human cancer cell lines were also assessed. The High-Performance Liquid Chromatography Mass Spectrometry (HPLC-MS QTOF) data suggests that flavonoid glycosides (including quercetin and myricetin) and (epi)catechin derivatives are among the most abundant compounds present. Our results reveal that the ethanol extract exhibits the highest antioxidant potential. In terms of anti-cancer properties, ethyl acetate extract demonstrated notable activity against all cell lines tested. Additionally, P. equisetiforme extracts were examined for their antimicrobial capabilities, showing pronounced activity against certain strains of Staphylococcus strains. Integrated network pharmacology, molecular docking, and molecular dynamics simulations support the hypothesis that galloylated and glycosylated flavonols derived from P. equisetiforme may engage in stable multi-target interactions with proteins associated with cancer, infections, and metabolic processes, suggesting their potential translational relevance. This study underscores the medicinal significance of P. equisetiforme as a natural antioxidant, antimicrobial, and anticancer agent, as well as a prospective source of enzyme inhibitors for a range of human disorders, including diabetes, neurodegenerative conditions, and skin diseases.