Integrated chemometric and spectrum-effect analysis discriminates Belamcanda chinensis and Iris tectorum in treating A549 lung cancer cells

IF 2.5 3区医学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of Chromatography B Pub Date : 2026-02-01 Epub Date: 2025-12-01 DOI:10.1016/j.jchromb.2025.124875

Li-Jun Ruan , Bing-Xiong Yan , Yun-Qiu Wu , Ru-Xin Liu , Shan-Shan Song , Cai-Yun Yao , Feng-Li Huang , Zhi-Jun Song

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Abstract

Belamcanda chinensis (射干, She Gan, SG) and Iris tectorum (川射干, Chuan She Gan, CS), morphologically similar Iridaceae species with overlapping phytochemistry and respiratory applications, are frequently misused in traditional and modern practice. This study established a comprehensive differentiation strategy for SG and CS by integrating chemical characterization with pharmacological evaluation to identify bioactive markers. Twenty-nine herbal samples (11 CS, 18 SG) were analyzed for extraction yields, HPLC fingerprints, isoflavone quantification, multivariate chemometric analysis, in vitro cytotoxicity assessment, and spectrum-effect correlations. CS exhibited significantly higher extraction yields (44.8 % vs. 23.4 %) and total isoflavonoid content (168.7 vs. 42.6 mg/g) than SG, which correlated with stronger cytotoxicity against A549 cells. Chemometric analysis (PCA, PLS-DA and HCA) distinguished species-specific markers: tectoridin/ iristectorin A & B/ iristectorigenin B dominated CS, while irigenin characterized SG. In cytotoxicity assays using A549 cells at concentrations of 50–400 μg/mL, CS extracts showed significantly stronger dose-dependent cytotoxicity (93.6 % to 32.1 % viability reduction) compared to SG extracts (102.8 % to 68.3 %). PLSR-based spectrum-effect relationship analysis at 100/200 μg/mL linked eleven chromatographic peaks to bioactivity, with tectoridin, iristectorin A, and iristectorigenin B demonstrating strong correlations. Experimental validation confirmed these monomers as key cytotoxic agents. In summary, our integrated chemometric and spectrum-effect analysis showed stronger cytotoxicity of CS versus SG in A549 cells, with tectoridin, iristectorin A, and iristectorigenin B identified as potential quality markers. This study establishes a reliable chemometric-bioassay approach for bioactive marker discovery and herb-herb differentiation in traditional medicine. Further validation in diverse models and mechanistic studies is needed.

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综合化学计量学和光谱效应分析鉴别了白菖蒲和鸢尾对A549肺癌细胞的治疗作用

Belamcanda对(射干,她甘,SG)和虹膜tectorum(川射干,栓她甘,CS),形态相似的鸢尾科物种与重叠的植物化学和呼吸系统应用程序,在传统和现代实践中经常被误用。本研究通过化学表征与药理评价相结合的方法，建立了SG和CS的综合鉴别策略，以鉴定其生物活性标记物。对29份中草药样品（11份CS， 18份SG）进行了提取率、HPLC指纹图谱、异黄酮定量、多元化学计量分析、体外细胞毒性评估和光谱效应相关性分析。CS的提取率（44.8% vs. 23.4%）和总异黄酮含量（168.7 vs. 42.6 mg/g）显著高于SG，且CS对A549细胞具有较强的细胞毒性。化学计量分析（PCA， PLS-DA和HCA）区分了种特异性标记：鸢尾苷/鸢尾苷A和鸢尾苷B/鸢尾苷B以CS为主，而鸢尾苷以SG为特征。在浓度为50 ~ 400 μg/mL的A549细胞的细胞毒性实验中，CS提取物的细胞毒性（活性降低93.6% ~ 32.1%）明显强于SG提取物（活性降低102.8% ~ 68.3%）。在100/200 μg/mL浓度下，基于plsr的光谱效应关系分析将11个色谱峰与生物活性联系起来，鸢尾鸢尾素、鸢尾鸢尾鸢尾素A和鸢尾鸢尾鸢尾素B显示出很强的相关性。实验验证证实这些单体是关键的细胞毒性药物。综上所述，我们的综合化学计量学和光谱效应分析显示，CS比SG在A549细胞中具有更强的细胞毒性，鸢尾鸢尾素、鸢尾鸢尾鸢尾素A和鸢尾鸢尾鸢尾素B被确定为潜在的质量标记。本研究为中药生物活性标志物的发现和中草药鉴别建立了一种可靠的化学计量学-生物测定方法。需要在不同的模型和机制研究中进一步验证。

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来源期刊

Journal of Chromatography B 医学-分析化学

CiteScore

5.60

自引率

3.30%

发文量

306

审稿时长

44 days

期刊介绍： The Journal of Chromatography B publishes papers on developments in separation science relevant to biology and biomedical research including both fundamental advances and applications. Analytical techniques which may be considered include the various facets of chromatography, electrophoresis and related methods, affinity and immunoaffinity-based methodologies, hyphenated and other multi-dimensional techniques, and microanalytical approaches. The journal also considers articles reporting developments in sample preparation, detection techniques including mass spectrometry, and data handling and analysis. Developments related to preparative separations for the isolation and purification of components of biological systems may be published, including chromatographic and electrophoretic methods, affinity separations, field flow fractionation and other preparative approaches. Applications to the analysis of biological systems and samples will be considered when the analytical science contains a significant element of novelty, e.g. a new approach to the separation of a compound, novel combination of analytical techniques, or significantly improved analytical performance.