Phytochemical Composition, Antioxidant Activity, and In Silico Reactome-Based Evaluation of the Potential Effects of Nonea pulla Methanol Extract on the SOD1 Pathway: A Pioneer Study

Abstract

Nonea pulla is an edible plant used in Turkish cuisine, where its leaves and roots are incorporated into traditional dishes. This study investigated the phytochemical composition, antioxidant activity, and molecular docking properties of N. pulla methanol extract. The extract exhibited significant antioxidant potential with an IC₅₀ value of 5.87 ± 0.45 mg/mL and contained various biologically active compounds, such as flavonoids, phenols, and tannins. The total phenolic content was found to be 28.61 ± 0.27 mg GAE/g extract DW, which is relatively low compared to some other species, while the flavonoid content is higher. Antioxidant activity was assessed using the DPPH test, and the methanol extract demonstrated strong free radical scavenging activity. Additionally, the fatty acid profile of N. pulla was analyzed, revealing high concentrations of myristic, palmitic, and linoleic acids, compounds that play significant roles in reducing oxidative stress. Molecular docking studies suggested that fatty acids, such as linoleic and arachidic acids, had moderate binding affinities and could interact with antioxidants and metabolic pathways. Furthermore, in silico analyses for endocrine disruption potential indicated that these compounds did not directly bind to key nuclear receptors but showed significant interaction possibilities with receptors related to lipid metabolism and redox regulation. Reactome pathway analysis highlighted the vital role of superoxide dismutase 1 (SOD1) in antioxidant mechanisms, and both fatty acids showed potential modulation effects on SOD1 activity. Overall, these results provide preliminary evidence regarding the bioactive potential of N. pulla and its constituent compounds, particularly in relation to antioxidant mechanisms, oxidative stress modulation, and metabolic pathway interactions.