Saputri Legis Ocktaviana, Permatasari Lina, Harahap Herpan Syafii, Rosyidi Rohadi Muhammad, Rivarti Arina Windri, Prihatina Lale Maulin, Rahayu Zilfia, Azariani Wiwin
Department of Pharmacology, Faculty of Medicine and Health Sciences, Mataram University, Mataram, Indonesia.
Department of Pharmaceutical Chemistry, Faculty of Medicine and Health Sciences, Mataram University, Mataram, Indonesia.
J Adv Pharm Technol Res. 2025 Apr-Jun;16(2):73-79. doi: 10.4103/JAPTR.JAPTR_313_24. Epub 2025 May 19.
Alzheimer's disease (AD) is the most prevalent type of dementia, negatively affecting the overall quality of life. Targeting the nuclear factor erythroid 2-related factor 2 (Nrf2) pathway, a regulator of protective genes, offers potential AD therapies. Inhibiting Kelch-like ECH-associated protein 1 (Keap1), which suppresses Nrf2, may help reduce neuronal damage. , a mangrove known for its anti-inflammatory and antioxidant properties, contains rutin, which is a promising potential AD therapy. The study aimed to explore the potential of rutin, a compound from leaves, to inhibit the Keap1-Nrf2. The study analyzed the metabolomic profile of and evaluated their compound, rutin, as AD therapeutic potential via the Keap1-Nrf2 pathway using molecular docking. was extracted using 96% ethanol. Metabolomic analysis employed liquid chromatography-high resolution mass spectrometry (LC-HRMS). The simulations used BIOVIA Discovery Studio and AutoDock Tool 1.5.7 for docking rutin and donepezil with the Keap1. Docking results were evaluated based on binding energy scores and inhibition constant. HRMS identified hundreds of compounds, with quercetin and rutin as major flavonoids. Molecular docking indicated rutin and donepezil had a binding energy of -6.97 ± 0.16 kcal/mol and -7.63 ± 0.04 kcal/mol, respectively. Their amino acid interaction was similar. leaf extract, particularly rutin, showed promise as an AD therapeutic agent through the Keap1-Nrf2 pathway, warranting further research.
阿尔茨海默病（AD）是最常见的痴呆类型，对整体生活质量产生负面影响。靶向核因子红细胞2相关因子2（Nrf2）途径（一种保护性基因的调节因子）为AD治疗提供了潜在方法。抑制抑制Nrf2的 Kelch样ECH相关蛋白1（Keap1）可能有助于减少神经元损伤。 ，一种以其抗炎和抗氧化特性而闻名的红树林植物，含有芦丁，这是一种有前景的潜在AD治疗药物。该研究旨在探索来自 叶的化合物芦丁抑制Keap1-Nrf2的潜力。该研究分析了 的代谢组学概况，并通过分子对接，评估了其化合物芦丁通过Keap1-Nrf2途径作为AD治疗的潜力。 使用96%乙醇提取。代谢组学分析采用液相色谱-高分辨率质谱（LC-HRMS）。 模拟使用BIOVIA Discovery Studio和AutoDock Tool 1.5.7将芦丁和多奈哌齐与Keap1进行对接。基于结合能得分和抑制常数评估对接结果。HRMS鉴定出数百种化合物，其中槲皮素和芦丁为主要黄酮类化合物。分子对接表明芦丁和多奈哌齐的结合能分别为-6.97±0.16 kcal/mol和-7.63±0.04 kcal/mol。它们的氨基酸相互作用相似。 叶提取物，特别是芦丁，通过Keap1-Nrf2途径显示出作为AD治疗剂的潜力，值得进一步研究。
