Background: Punica granatum L. is well-known for its multifaceted therapeutic potential, including anti-inflammatory and immunomodulatory activities. Aim: This study aimed to characterize an immunomodulatory compound isolated from Punica granatum L. using a bioactivity-guided approach. Methods: Chromatographic techniques were adopted for isolation and purification of secondary metabolites. In silico, in vitro, and in vivo methods were performed to characterize the therapeutic potential of the isolated compound. Results: Using preparative thin-layer chromatography, rosmarinic acid was isolated from F4 (column chromatography product obtained from a butanolic fraction of the extract). The impact of rosmarinic acid was assessed in rats using the neutrophil adhesion test, DTH response, and phagocytic index. In immunized rats, rosmarinic acid demonstrated significant immunomodulatory potential. Computational experiments, like molecular docking and molecular dynamics, were also conducted against two targeted receptors, Cereblon (PDB ID: 8AOQ) and human CD22 (PDB ID: 5VKM). Computational studies suggested that an increase in phagocytic index by rosmarinic acid could be attributed to inhibiting Cereblon and CD22. Pharmacokinetics and toxicity prediction also suggested the drug-likeness of rosmarinic acid. Conclusion: Rosmarinic acid is a potential candidate, but extensive research needs to be done to translate this molecule from bench to bedside.

中文翻译：

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使用生物活性引导方法解锁从石榴中分离的迷迭香酸的免疫调节潜力：计算机、体外和体内方法

背景：石榴以其多方面的治疗潜力而闻名，包括抗炎和免疫调节活性。目的：本研究旨在采用生物活性引导的方法表征从石榴中分离出的免疫调节化合物。方法：采用层析技术分离纯化次级代谢产物。采用计算机、体外和体内方法来表征分离化合物的治疗潜力。结果：使用制备型薄层色谱法，从 F4（从提取物的丁醇部分获得的柱色谱产物）中分离出迷迭香酸。使用中性粒细胞粘附测试、DTH 反应和吞噬指数评估迷迭香酸对大鼠的影响。在免疫大鼠中，迷迭香酸表现出显着的免疫调节潜力。还针对两种靶向受体 Cereblon (PDB ID: 8AOQ) 和人 CD22 (PDB ID: 5VKM) 进行了分子对接和分子动力学等计算实验。计算研究表明，迷迭香酸吞噬指数的增加可能归因于抑制 Cereblon 和 CD22。药代动力学和毒性预测也表明了迷迭香酸的药物相似性。结论：迷迭香酸是一种潜在的候选物，但需要进行广泛的研究才能将这种分子从实验室转化为临床。