Phytochemical Composition and Bioactivity of Ultrasound-Assisted Ethanolic Extract of Ceratopteris Thalictroides (L.) Brongn: Integrated In Vitro and In Silico Evaluation of Antibacterial, Anticancer, and Anti-Inflammatory Studies.

Ferns and allies are underexplored sources of bioactives. This study evaluates the phytochemical composition and bioactivities of the ultrasound-assisted ethanolic (CT-UAE) extract of the dietary fern Ceratopteris thalictroides (L.) Brongn (C. thalictroides). The extract contained notable levels of total phenolics (4.34 ± 0.16 mg GAE/g), flavonoids (3.74 ± 0.08 mg QE/g), and alkaloids (1.27 ± 0.15 mg AE/g). Volatile and semi-volatile compounds were identified using GC-MS/MS, while LC-MS/MS profiling revealed non-volatile and polar metabolites. The extract exhibited strong antibacterial activity, producing inhibition zones of 22 ± 0.29 mm (S. aureus), 22 ± 0.89 mm (B. subtilis), 24 ± 0.44 mm (E. coli), and 14 ± 0.72 mm (K. pneumoniae), supported by MIC values of 60-90 µg/mL. Anti-inflammatory assays, including HRBC membrane stabilization and egg albumin denaturation, revealed IC50 values of 426.81 ± 1.37 µg/mL and 448.35 ± 0.04 µg/mL. The extract also showed cytotoxic activity against A431 carcinoma cells, with an IC50 of 57.61 µg/mL. Docking studies showed that quercetin has the strongest molecular interactions with FimH (-7.02 kcal/mol), EGFR kinase (-7.13 kcal/mol), and COX-2 (-8.91 kcal/mol). These results indicate C. thalictroides as a promising source of antibacterial, anti-inflammatory, and anticancer compounds for pharmaceutical and nutraceutical use.