Bioactivity profiling of dragon peel (Hylocereus spp.) extracts and molecular docking against inflammatory protein tumor necrosis factor-alpha (TNF-α)

Abstract

Dragon fruit peel (Hylocereus spp.) is draw attention in the commercial sector due to its nutritional richness and bioactive compounds. This study explores the biological activities of Hylocereus spp. peel extract, examining its in-vitro anti-hyperglycemic, anti-inflammatory, and antioxidant properties. The investigation includes measuring total phenolic and flavonoid contents, GC–MS analysis for phytoconstituents, and molecular docking to evaluate its impact on the inflammatory protein Tumor necrosis factor-alpha (TNF-α). Methanolic extract outperformed the aqueous extract in phenolic (45.08 ± 1.13 mg GAEs/g vs. 30.11 ± 1.30 mg GAEs/g) and flavonoid (39.50 ± 0.15 mg QEs/g vs. 32.11 ± 0.15 mg QEs/g) contents. Biological activity assays demonstrated significant antioxidant activity, with IC₅₀ values of 95.12 ± 10.27 μg/ml (DPPH), 123.40 ± 30.30 μg/ml (ABTS), and 146.42 ± 25.64 μg/ml (H₂O₂ scavenging). Anti-inflammatory assessments revealed IC₅₀ values of 114.15 ± 7.37 μg/ml (BSA inhibition) and 129.60 ± 24.85 μg/ml (RBC hemolytic inhibition). Enzyme inhibition assays demonstrated stronger activity against α-amylase (IC₅₀: 99.02 ± 2.05 μg/ml) than α-glucosidase (IC₅₀: 107.46 ± 3.80 μg/ml). In silico analysis for pharmacokinetics, toxicity, ADMET, and molecular docking emphasized the anti-inflammatory potential of dragon peel. The study suggests that dragon peel extracts, with their potent antioxidant, anti-inflammatory, and enzyme inhibition actions, could serve as promising therapeutically active ingredients for future exploration.