Pharmacognosy Department, College of Pharmacy, Cairo University, Kasr el Aini St., P.B. 11562, Cairo, Egypt; Department of Chemistry, School of Sciences & Engineering, The American University in Cairo, New Cairo 11835, Egypt.
Laboratory of Phytochemistry, National Organization for Drug Control and Research, Cairo, Egypt.
J Pharm Biomed Anal. 2021 Jan 30;193:113727. doi: 10.1016/j.jpba.2020.113727. Epub 2020 Nov 2.
Salvadora persica L. (toothbrush tree, Miswak) is well recognized in most Middle Eastern and African countries for its potential role in dental care, albeit the underlying mechanism for its effectiveness is still not fully understood. A comparative MS and NMR metabolomics approach was employed to investigate the major primary and secondary metabolites composition of S. persica in context of its organ type viz., root or stem to rationalize for its use as a tooth brush. NMR metabolomics revealed its enrichment in nitrogenous compounds including proline-betaines i.e., 4-hydroxy-stachydrine and stachydrine reported for the first time in S. persica. LC/MS metabolomics identified flavonoids (8), benzylurea derivatives (5), butanediamides (3), phenolic acids (8) and 5 sulfur compounds, with 21 constituents reported for the first time in S. persica. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) of either NMR or LC/MS dataset clearly separated stem from root specimens based on nitrogenous compounds abundance in roots and is justifying for its preference as toothbrush versus stems. The presence of betaines at high levels in S. persica (9-12 μg/mg dry weight) offers novel insights into its functioning as an osmoprotectant that maintains the hydration of oral mucosa. Additionally, the previously described anti-inflammatory activity of stachydrine along with the antimicrobial effects of sulfonated flavonoids, benzylisothiocynate and ellagic acid derivatives are likely contributors to S. persica oral hygiene health benefits. Among root samples, variation in sugars and organic acids levels were the main discriminatory criterion. This study provides the first standardization of S. persica extract using qNMR for further inclusion in nutraceuticals.
萨尔瓦多 persica L.（牙刷树，Miswak）在大多数中东和非洲国家因其在口腔保健方面的潜在作用而得到广泛认可，尽管其有效性的潜在机制仍未完全理解。采用比较 MS 和 NMR 代谢组学方法研究了 S. persica 的主要初级和次级代谢产物组成，根据其器官类型（根或茎）进行合理化，以解释其作为牙刷的用途。NMR 代谢组学表明，它富含含氮化合物，包括脯氨酸甜菜碱，即 4-羟基-stachydrine 和 stachydrine，这是首次在 S. persica 中报道。LC/MS 代谢组学鉴定了类黄酮（8）、苄基脲衍生物（5）、丁二酰胺（3）、酚酸（8）和 5 种硫化合物，其中 21 种成分首次在 S. persica 中报道。基于根中含氮化合物的丰度，无论是 NMR 还是 LC/MS 数据集的主成分分析（PCA）和层次聚类分析（HCA）都清楚地将茎与根标本分开，这证明了其作为牙刷优于茎的原因。甜菜碱在 S. persica 中的高含量（9-12 μg/mg 干重）为其作为渗透保护剂的功能提供了新的见解，它可以维持口腔黏膜的水合作用。此外，stachydrine 先前描述的抗炎活性以及磺化类黄酮、苄基异硫氰酸酯和鞣花酸衍生物的抗菌作用可能是 S. persica 口腔卫生健康益处的原因。在根样本中，糖和有机酸水平的变化是主要的鉴别标准。本研究首次使用 qNMR 对 S. persica 提取物进行了标准化，以进一步纳入营养保健品。
