Equisetum hyemale L. Extracts: Phytochemistry, Biological Performance, ADMET Profiling, and Toxicity Predictions

<b>Background:</b><i>Equisetum hyemale</i> L., commonly known as scouring rush or horsetail, is a perennial plant with significant applications in traditional medicine. <b>Methods:</b> The aerial parts of <i>E. hyemale</i> L. were macerated with hexane, chloroform, and ethyl acetate. The phytochemical profile of the extracts was investigated using chromatography approaches. The biological performance of the extracts was determined using antibacterial, antioxidant, anticancer, and toxicity in vitro and in vivo models. Molecular docking and ADMET analyses were employed to determine interactions with structural components of multidrug resistant bacteria and assess potential toxicological risks. <b>Results:</b> The extracts exert high scavenging activity against ABTS radicals (IC₅₀ 2.57-2.68 μg/mL), but poor antibacterial activity. It was evidenced that treatment with extracts exerts in moderate cytotoxicity on hepatocellular and colorectal cancer cell lines. Toxicity assays unveiled that the extracts decrease the survival rate of <i>C. elegans</i> nematodes after 2 h of exposure to treatment. In silico studies evidenced a high affinity of campesterol and calcitriol towards the DNA gyrase, and the oral bioavailability of farnesol and limonene. <b>Conclusions:</b> Our findings demonstrated the presence of biologically active secondary metabolites in hexane, chloroform, and ethyl acetate extracts from <i>E. hyemale</i> L. This work also demonstrated the biological performance of these extracts in in vitro and in vivo models, and validated the potential pharmacokinetic and pharmacodynamic profile of their phytoconstituents.