Chemical Composition, Antioxidant Properties, Acute Toxicity, and Pharmacokinetic Evaluation of Aqueous Extract of Roots of Ferula communis L

The chemical constituent's antioxidant potential and acute toxicity of aqueous extracts of roots of Ferula communis L. were determined. UHPLC–MS/MS was used to identify compounds in the extract. Antioxidant properties were investigated in vitro. Acute toxicity was examined during oral dosing of Swiss albino mice with 200, 300, or 400 mg/Kg. The use of molecular docking determined drug similarity. The main constituents in the root extract of F. communis were luteolin (21.48%), vanillic acid (10.98%), and kaempferol (24.57%). Extracts of F. communis contained flavonoids and polyphenols (0.820 ± 0.031 mg equiv Q/mg and 0.194 ± 0.04 mg equiv AG/mg, respectively). The aqueous root extract exhibited significant antioxidative capacity based on the DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) method with an IC50 = 0.820 ± 0.031 mg/mL) or ABTS (2,2′‐azinobis‐(3‐ethylbenzthiazolin‐6‐sulfonic acid) with an IC50 = 15.65 ± 1.21 mg/mL, and molybdenum (474 ± 6 mg equiv Vit C/mg). This result was consistent with results of docking analysis that showed that F. communis also had stable intermolecular interactions, expected to have a potent antioxidant effect. Extracts of roots caused no toxicity to mice during acute exposures. Results of the docking study and ADMET pharmacokinetic predictions demonstrated the safety of the primary plant compounds under investigation, specifically luteolin (C8). The chemical constituents, acute toxicity, and antioxidant capacity were assessed in aqueous extracts of Ferula communis roots. Seventeen phytochemicals in the extract were identified using UHPLC–MS/MS, and the affinity of these phytochemicals was verified using molecular docking. The extract has been shown to have notable flavonoid and polyphenol content and demonstrated strong antioxidant properties. The extracts exhibited wide safety margin as it caused no observed toxicity.