Aytar Mehmet, Torunoğlu Emine İncilay, Aytar Erdi Can, Durmaz Alper, Aydın Betül, Gümrükçüoğlu Abidin
Institute of Science, Aydın Adnan Menderes University, Aydın, Türkiye.
Department of Medical Biochemistry, Necmettin Erbakan University, Konya, Türkiye.
J Food Sci. 2025 Jun;90(6):e70325. doi: 10.1111/1750-3841.70325.
This study aims to investigate the antioxidant and iron chelating activities; phytochemical composition; and profile, antibiofilm activity, in silico molecular docking, and network analysis of the methanol extract of Amaranthus retroflexus. The extract showed an IC₅₀ value of 3.50 mg/mL in the DPPH assay and 6.61 mg/mL in the iron-chelating assay. The total phenolic and flavonoid contents were determined as 30.54 mg GAE/g DW and 29.28 mg QE/g DW, respectively. Antibiofilm tests revealed 7% inhibition against Pseudomonas aeruginosa, while biofilm formation increased by 10% in Staphylococcus aureus 25923. HPLC analysis identified key bioactive compounds, including ascorbic acid, gallic acid, vanillic acid, rosmarinic acid, oleuropein, rutin, and quercetin. Macroelement analysis indicated high potassium and magnesium levels, highlighting the plant's nutritional potential. In the in silico endocrine-disrupting analysis, compounds such as ascorbic acid, vanillic acid, and quercetin exhibited a low-risk profile, while rosmarinic acid, gallic acid, and baicalin demonstrated moderate binding potential with specific receptors. Molecular docking studies demonstrate that oleuropein, rutin, and baicalin exhibit strong binding affinity with target proteins. Network analysis has identified key biological pathways related to inflammation, oxidative stress, and immune modulation, highlighting the roles of rutin and oleuropein in managing P. aeruginosa infections. Following the network analysis, molecular docking studies reveal that oleuropein and rutin have an even stronger binding affinity with target proteins. PRACTICAL APPLICATION: The findings of this study suggest that Amaranthus retroflexus extract may serve as a natural source of antioxidant and iron-chelating agents, as well as bioactive compounds with potential roles in managing bacterial biofilm formation. Due to its phytochemical richness and essential mineral content, the extract could be further explored in the development of plant-based supplements, functional foods, or natural preservatives. This research provides a foundation for future studies focused on safe and sustainable health-supporting products.
本研究旨在调查反枝苋甲醇提取物的抗氧化和铁螯合活性、植物化学成分、概况、抗生物膜活性、计算机模拟分子对接及网络分析。该提取物在DPPH试验中的IC₅₀值为3.50毫克/毫升，在铁螯合试验中的IC₅₀值为6.61毫克/毫升。总酚含量和黄酮含量分别测定为30.54毫克没食子酸当量/克干重和29.28毫克槲皮素当量/克干重。抗生物膜试验显示对铜绿假单胞菌有7%的抑制作用，而在金黄色葡萄球菌25923中生物膜形成增加了10%。高效液相色谱分析鉴定出关键生物活性化合物，包括抗坏血酸、没食子酸、香草酸、迷迭香酸、橄榄苦苷、芦丁和槲皮素。常量元素分析表明钾和镁含量高，突出了该植物的营养潜力。在计算机模拟内分泌干扰分析中，抗坏血酸、香草酸和槲皮素等化合物显示出低风险概况，而迷迭香酸、没食子酸和黄芩苷与特定受体表现出中等结合潜力。分子对接研究表明，橄榄苦苷、芦丁和黄芩苷与靶蛋白表现出强结合亲和力。网络分析确定了与炎症、氧化应激和免疫调节相关的关键生物途径，突出了芦丁和橄榄苦苷在管理铜绿假单胞菌感染中的作用。在网络分析之后，分子对接研究表明，橄榄苦苷和芦丁与靶蛋白的结合亲和力更强。实际应用：本研究结果表明，反枝苋提取物可能作为抗氧化剂和铁螯合剂以及在管理细菌生物膜形成中具有潜在作用的生物活性化合物的天然来源。由于其丰富的植物化学成分和必需矿物质含量，该提取物可在植物性补充剂、功能性食品或天然防腐剂的开发中进一步探索。本研究为未来专注于安全和可持续健康支持产品的研究提供了基础。
