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

Area of Science:

• Phytochemistry
• Pharmacology
• Computational Chemistry

Background:

• Equisetum hyemale L. (horsetail) is a plant used in traditional medicine.
• Its aerial parts were investigated for bioactive compounds.

Purpose of the Study:

• To analyze the phytochemical profile of E. hyemale extracts.
• To evaluate their biological activities (antioxidant, antibacterial, anticancer, toxicity).
• To perform in silico analyses for molecular interactions and pharmacokinetic properties.

Main Methods:

• Extraction using hexane, chloroform, and ethyl acetate.
• Phytochemical analysis via chromatography.
• In vitro and in vivo assays for biological activities.
• Molecular docking and ADMET analyses for computational studies.

Main Results:

• Extracts exhibited strong ABTS radical scavenging activity (IC50 2.57-2.68 μg/mL).
• Moderate cytotoxicity was observed against hepatocellular and colorectal cancer cell lines.
• Toxicity assays showed reduced C. elegans survival.
• In silico studies indicated high affinity of campesterol and calcitriol for DNA gyrase and good oral bioavailability for farnesol and limonene.

Conclusions:

• Equisetum hyemale extracts contain bioactive secondary metabolites.
• The extracts demonstrate significant antioxidant and moderate anticancer effects.
• In silico findings support the potential pharmacokinetic and pharmacodynamic profiles of identified phytoconstituents.