Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo, Egypt.
Department of Pharmacognosy, Faculty of Pharmacy, Heliopolis University, Cairo, Egypt.
Phytochem Anal. 2024 Jun;35(4):690-707. doi: 10.1002/pca.3322. Epub 2024 Jan 11.
This research explores sustainable applications for waste generated from fenugreek (Trigonella foenum-graecum), a plant with both nutritional and medicinal uses. The study specifically targets waste components as potential sources of nutrients and bioactive compounds.
The focus is to conduct detailed metabolic profiling of fenugreek waste, assess its anti-inflammatory properties by studying its cyclooxygenase (COX) inhibitory effect, and correlate this effect to the metabolite fingerprint.
Ethanolic extracts of fenugreek fruit pericarp and a combination of leaves and stems were subjected to untargeted metabolic profiling using liquid chromatography-mass spectrometry integrated with online database searches and molecular networking as an effective dereplication strategy. The study also scrutinized the COX inhibitory capabilities of these extracts and saponin-rich fractions prepared therefrom. Molecular docking was employed to investigate the specific interactions between the identified saponins and COX enzymes.
The analysis led to the annotation of 81 metabolites, among which saponins were predominant. The saponin-rich fraction of the fruit pericarp extract displayed the strongest COX-II inhibitory activity in the in vitro inhibition assay (IC value of 81.64 ± 3.98 μg/mL). The molecular docking study supported the selectivity of the identified saponins towards COX-II. The two major identified saponins, namely, proto-yamogenin 3-O-[deoxyhexosyl (1 → 2)] [hexosyl (1 → 4)] hexoside 26-O-hexoside and trigofenoside A, were predicted to have the highest affinity to the COX-II receptor site.
In the present study, we focused on the identification of COX-II inhibitory saponins in fenugreek waste through an integrated approach. The findings offer valuable insights into potential anti-inflammatory and cancer chemoprotective applications of fenugreek waste.
本研究探索了葫芦巴（Trigonella foenum-graecum）产生的废物的可持续应用，这种植物既有营养价值又有药用价值。该研究特别针对废物成分，将其作为营养物质和生物活性化合物的潜在来源。
本研究的重点是对葫芦巴废物进行详细的代谢物分析，通过研究其环氧化酶（COX）抑制作用来评估其抗炎特性，并将这种作用与代谢指纹图谱相关联。
采用液相色谱-质谱联用技术，并结合在线数据库搜索和分子网络作为有效的去重策略，对葫芦巴果皮的乙醇提取物和叶茎混合物进行非靶向代谢物分析。本研究还研究了这些提取物及其从中制备的皂素丰富部分的 COX 抑制能力。采用分子对接研究鉴定出的皂素与 COX 酶之间的特异性相互作用。
分析结果注释了 81 种代谢物，其中皂素占主导地位。果皮提取物的皂素丰富部分在体外抑制试验中显示出最强的 COX-II 抑制活性（IC 值为 81.64 ± 3.98 μg/mL）。分子对接研究支持了鉴定出的皂素对 COX-II 的选择性。两种主要鉴定出的皂素，即原雅莫皂苷元 3-O-[去氧己糖（1→2）][己糖（1→4）]己糖苷 26-O-己糖苷和葫芦巴皂苷 A，被预测与 COX-II 受体结合部位具有最高的亲和力。
在本研究中，我们通过综合方法专注于鉴定葫芦巴废物中的 COX-II 抑制皂素。这些发现为葫芦巴废物在抗炎和癌症化学保护方面的潜在应用提供了有价值的见解。
