Phytochemical Profiling and In Silico Evaluation of Antioxidant and Neuropharmacologically Active Constituents of the Methanolic Stem Bark Extract of Magnolia officinalis Using HPLC-UV
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Abstract
Neuropsychiatric disorders, including anxiety, bipolar disorder, and schizophrenia, are associated with neurotransmitter dysregulation, oxidative stress, and neuroinflammation, necessitating novel multi-target therapeutics from natural sources. This study investigated the phytochemical composition, antioxidant activity, and neuropharmacological potential of the methanolic bark extract of Magnolia officinalis using integrated in-vitro and computational approaches to identify potential central nervous system (CNS)-active compounds. Qualitative and quantitative phytochemical analyses and antioxidant assays [2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), nitric oxide (NO), and cupric ion reducing antioxidant capacity (CUPRAC)] were performed. High-performance liquid chromatography coupled with ultraviolet detection (HPLC-UV), molecular docking against GABAA, serotonin (5-HT₁A and 5-HT₂A), dopamine D₂, histamine H₁, and α₂C-adrenergic receptors, and ADMET analysis were conducted. The extract contained 45.00 ± 0.25 mg gallic acid equivalents (GAE)/g total phenolics and 744.44 ± 19.25 mg quercetin equivalents (QE)/g total flavonoids. Antioxidant activity yielded DPPH, FRAP, and NO IC₅₀/EC₅₀ values of 805.36 ± 3.29, 398.68 ± 0.13, and 1333.26 ± 33.80 µg/mL, respectively, compared with 13.23 ± 0.67, 64.78 ± 0.07, and 582.39 ± 35.90 µg/mL for ascorbic acid, while the CUPRAC value was 8210.00 ± 493.66 µg AAE/g extract. HPLC-UV identified 22 phytochemicals including quercetin, magnolol and honokiol. Molecular docking showed that honokiol, magnolol, and obovatol consistently exhibited the strongest binding affinities across multiple CNS targets. ADMET predicted favourable drug-likeness, pharmacokinetics, blood-brain barrier permeability, and safety profiles for these compounds. These findings highlight M. officinalis as a promising source of antioxidant, multi-target CNS-active compounds, warranting further in vitro and in vivo validation.
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