Gorgi Sodabeh, Kiani-Anbouhi Roya, Doosti Rahele, Asadian Melika
Department of Chemistry, Faculty of Science, Imam Khomeini International University Qazvin Iran
RSC Adv. 2025 Sep 15;15(40):33601-33609. doi: 10.1039/d5ra05230k. eCollection 2025 Sep 11.
The increasing demand for herbal medicines as an alternative to synthetic drugs has gained significant attention due to their lower side effects and potential therapeutic benefits. This study aims to extract secondary metabolites from (Turmeric), (Ginger), and (Valerian) using four extraction techniques: Soxhlet, Clevenger, maceration, and hydro distillation. The extracted compounds were analyzed using Gas Chromatography-Mass Spectrometry (GC-MS), and their interaction with TNF-α (PDB ID: 2AZ5), a key protein involved in rheumatoid arthritis, was evaluated through molecular docking studies using AutoDock software. The results indicated that valerian metabolites exhibited superior anti-inflammatory potential compared to and Ginger, with the lowest binding energy and most stable interactions. These findings highlight the potential use of valerian as a natural inhibitor for autoimmune diseases like rheumatoid arthritis.
由于草药副作用较低且具有潜在治疗益处，其作为合成药物替代品的需求日益增加，已引起广泛关注。本研究旨在使用索氏提取法、克莱文杰蒸馏法、浸渍法和水蒸馏法从姜黄、生姜和缬草中提取次生代谢产物。使用气相色谱 - 质谱联用仪（GC-MS）对提取的化合物进行分析，并通过使用AutoDock软件的分子对接研究评估其与类风湿性关节炎关键蛋白TNF-α（PDB ID：2AZ5）的相互作用。结果表明，缬草代谢产物与姜黄和生姜相比具有更强的抗炎潜力，其结合能最低且相互作用最稳定。这些发现突出了缬草作为类风湿性关节炎等自身免疫性疾病天然抑制剂的潜在用途。
