Turkish galls have been reported to exhibit remedial effects in ulcerative colitis (UC). However, the active constituents of Turkish galls for the treatment of UC remain unclear. The objective of this study was to screen for anti-inflammatory active constituents and clarify their associated molecular mechanisms. Therefore, systems pharmacology was developed to predict the relationship between constituents and the corresponding targets as well as pathways. In addition, mass spectrometry-guided preparative chromatography technique was used for preparing constituents to evaluate the anti-inflammatory activities and the therapeutic efficacy against UC. In silico, active constituents exhibited a remedial effect on UC possibly by regulating multiple pathways and attacking multiple targets, of which those involved mainly in the NF-κB pathway were selected for verification. In vitro, 5 categories of constituents were screened as active constituents by comparing the cytotoxicity and detecting the level of the pro-inflammatory factors of 9 category constituents. In vivo, dextran sulfate sodium (DSS)-induced UC was significantly ameliorated in active constituents-fed mice. The results indicated that the active fraction comprising methyl gallate, digallic acid, di-O-galloyl-β-D-glucose, and tri-O-galloyl-β-D-glucose primarily contributed to the treatment of UC. Moreover, active fraction could also inhibit the phosphorylation level of IKKβ, thus inhibiting the downstream NF-κB signaling pathway. The approach developed in this study not only clarifies the anti-inflammation effect of Turkish galls but also provides a beneficial reference for the discovery of the base material and functional mechanism of this herbal medicine.

中文翻译：

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质谱指导的制备色谱策略在土耳其胆中抗溃疡性结肠炎的活性成分筛选：计算机，体内和体外研究†

据报道，土耳其胆在溃疡性结肠炎（UC）中表现出治疗作用。但是，土耳其胆汁用于UC治疗的有效成分仍不清楚。这项研究的目的是筛选抗炎活性成分并阐明其相关的分子机制。因此，开发了系统药理学来预测成分与相应靶标以及途径之间的关系。此外，质谱引导的制备色谱技术用于制备成分，以评估其抗炎活性和对UC的治疗效果。在计算机上，活性成分可能通过调节多个途径和攻击多个靶点而对UC表现出补救作用，其中主要参与NF-κB途径的那些被选中进行验证。在体外，通过比较细胞毒性和检测9种成分的促炎因子水平，筛选出5种成分作为活性成分。在体内，以活性成分喂养的小鼠可明显改善硫酸葡聚糖硫酸钠（DSS）诱导的UC。结果表明，活性成分包括没食子酸甲酯，二没食子酸，二-O -galloyl-β- D-葡萄糖和三-O -galloyl-β- D。-葡萄糖主要有助于UC的治疗。此外，活性级分还可以抑制IKKβ的磷酸化水平，从而抑制下游的NF-κB信号通路。本研究开发的方法不仅阐明了土耳其gall的抗炎作用，而且为发现该草药的基础材料和功能机理提供了有益的参考。