Evaluation of free radical scavenging and anxiolytic activities of Bunium persicum (Boiss.) B. Fedtsch. bioactive metabolites through multi-method experimental and computational approaches
Abstract
Ethnopharmacological relevance: Bunium persicum is a valued traditional Persian medicinal spice used as a calming and anxiolytic agent. However, the bioactive metabolites responsible for its antioxidant and anxiolytic effects, and their underlying mechanisms, remain largely unexplored.
Aim of the study: This study evaluated the antioxidant and anxiolytic potential of hydroalcoholic extracts and solvent fractions of B. persicum fruits through bioactivity-guided isolation, supported by in-vivo and in silico validation to mechanistically confirm its traditional use in anxiety disorders.
Materials and methods: Fruits were extracted with 70% hydroalcoholic solvent and successively fractionated with solvents of increasing polarity. Antioxidant activity was assessed via total phenolic content (TPC), total flavonoid content (TFC), DPPH radical scavenging, and reducing power assays. The most active ethyl acetate fraction underwent bioactivity-guided isolation, yielding three fatty acids (myristic, palmitic, and stearic acid) characterized by spectroscopic methods. Anxiolytic effects of the isolates were tested in Swiss albino mice using elevated plus maze (EPM) and light-dark arena (LDA) tests. Acute oral toxicity was evaluated per OECD guidelines (2000 mg/kg). In-silico studies included molecular docking against MAO, GABA(A) β3 subunit, COMT, and SERT, followed by 200 ns MD simulations to assess binding stability.
Results: The ethyl acetate fraction showed the highest antioxidant…
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