Faculty of Pharmacy, Universitas Ahmad Dahlan, Yogyakarta 55281, Indonesia.
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia.
Molecules. 2021 Dec 16;26(24):7626. doi: 10.3390/molecules26247626.
, , and have been widely used for herbal or traditional medicine purposes. It was reported that turmeric plants provided several biological activities such as antioxidant, anti-inflammatory, hepatoprotector, cardioprotector, and anticancer activities. Authentication of the Curcuma species is important to ensure its authenticity and to avoid adulteration practices. Plants from different origins will have different metabolite compositions because metabolites are affected by soil nutrition, climate, temperature, and humidity. H-NMR spectroscopy, principal component analysis (PCA), and orthogonal projections to latent structures-discriminant analysis (OPLS-DA) were used for authentication of , , and from seven different origins in Indonesia. From the H-NMR analysis it was obtained that 14 metabolites were responsible for generating classification model such as curcumin, demethoxycurcumin, alanine, methionine, threonine, lysine, alpha-glucose, beta-glucose, sucrose, alpha-fructose, beta-fructose, fumaric acid, tyrosine, and formate. Both PCA and OPLS-DA model demonstrated goodness of fit (R value more than 0.8) and good predictivity (Q value more than 0.45). All OPLS-DA models were validated by assessing the permutation test results with high value of original R and Q. It can be concluded that metabolite fingerprinting using H-NMR spectroscopy and chemometrics provide a powerful tool for authentication of herbal and medicinal plants.
姜黄、莪术和郁金已被广泛用于草药或传统药物用途。据报道，姜黄植物具有多种生物活性，如抗氧化、抗炎、保肝、护心和抗癌活性。姜黄属物种的鉴定对于确保其真实性和避免掺假行为非常重要。由于代谢物受到土壤营养、气候、温度和湿度的影响，来自不同产地的植物会有不同的代谢物组成。H-NMR 光谱、主成分分析（PCA）和正交投影到判别分析（OPLS-DA）被用于印度尼西亚七个不同产地的姜黄、莪术和郁金的鉴定。从 H-NMR 分析中可以得出，有 14 种代谢物负责生成分类模型，如姜黄素、脱甲氧基姜黄素、丙氨酸、蛋氨酸、苏氨酸、赖氨酸、α-葡萄糖、β-葡萄糖、蔗糖、α-果糖、β-果糖、富马酸、酪氨酸和甲酸盐。PCA 和 OPLS-DA 模型都表现出良好的拟合度（R 值大于 0.8）和良好的预测能力（Q 值大于 0.45）。所有的 OPLS-DA 模型都通过评估原始 R 和 Q 值较高的置换检验结果进行了验证。可以得出结论，使用 H-NMR 光谱和化学计量学的代谢指纹图谱为草药和药用植物的鉴定提供了一种强大的工具。
