Data Sheet 1_Therapeutic potential of Laurus nobilis extract by experimental and computational approaches: phenolic content and bioactivities for antioxidant, antidiabetic, and anticholinergic properties.docx

IntroductionLaurus nobilis (LN), has traditional medicinal uses, and this study investigates its therapeutic potential by focusing on its phenolic content and bioactivities such as antioxidant, antidiabetic, and anticholinergic properties. Phenolic compounds play key roles in reducing oxidative stress and modulating enzymatic activities, relevant to metabolic and neurodegenerative disorders.
MethodsLN leaf extracts were prepared via ethanol maceration, followed by filtration and concentration. Phenolic content was analyzed using LC-MS/MS. Antioxidant activity was assessed through ferric thiocyanate, DPPH, ABTS, and FRAP assays. Enzyme inhibition assays targeted AChE, BChE, and α-GLY, with IC50 values from dose-response curves. In silico analyses were conducted using molecular docking techniques to predict the binding mechanisms of identified phenolic compounds with the active sites of target enzymes, evaluating binding affinities and interaction profiles.
ResultsVanillic acid and catechin hydrate were the most abundant phenolics. LN extract showed strong lipid peroxidation inhibition (50.53%) compared to Trolox (28.33%) and α-tocopherol (37.79%). Moderate radical scavenging and metal reduction potentials were observed. IC50 values were 2.57 µg/L for AChE, 3.78 µg/L for BChE, and 4.65 µg/L for α-GLY, indicating notable bioactivity. In silico studies confirmed strong binding affinities of phenolics to target enzymes.
DiscussionLN extracts demonstrated promising antioxidant, antidiabetic, and anticholinergic activities, attributed to high phenolic content. Enzyme inhibition results suggest potential in managing metabolic and neurodegenerative disorders. In silico findings support these bioactivities, highlighting LN’s therapeutic potential.