Chemical profiling, proximate composition, and antibacterial, antioxidant, anti-diabetic, and anti-rheumatoid arthritis properties of wild fern rhizome (Drynaria quercifolia (L.) J. Sm): In vitro and drug discovery approaches.

The present study aimed to explore the antibacterial, antioxidant, antidiabetic, and antiarthritic potential of the rhizome of the medicinal fern Drynaria quercifolia (L.) J. rhizome via in vitro and in silico approaches. In the antibacterial assay, at 200 μg/mL, the ethyl acetate-derived extracts resulted in greater zones of inhibition against P. aeruginosa (19 mm) and V. cholerae (18 mm), with a significance of ≤ = 0.001. In the DPPH free radical scavenging experiment, the hexane-derived extracts exhibited notable antioxidant effects, with an IC50 value of 86.45 ± 0.20 μg/mL. In the antidiabetic enzyme inhibitory assay, the ethyl acetate-derived extract had a lower IC50 value (135.14 μg/mL) than did acarbose. The methanolic extract significantly inhibited protein denaturation, with an IC50 value of 133.75 μg/mL. In the molecular docking studies, the volatile compounds for the GTP-binding protein Rit1 had docking scores ranging from -11.496 to -0.012 kcal/mol, whereas those for the T-cell receptor beta chain ranged from -6.115 to -0.768 kcal/mol. Similarly, the nonvolatile compounds for the GTP-binding protein Rit1 had docking scores ranging from -6.586 to -1.696 kcal/mol, whereas those for the T-cell receptor beta chain ranged from -10.331 to -4.278 kcal/mol. The binding stability assessment revealed that pyrimidine-2,4(1H,3H)-dione, caffeic acid, 4-O-glucoside, and eriocitrin had lower RMSD values of <2.8 Å, demonstrating their pharmacological potential for treating arthritic complications. Hence, the present research highlights that the rhizomes of D. quercifolia could serve as valuable sources for the development of potent antibiotic, antioxidant, antidiabetic, and antiarthritic agents.