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High-throughput untargeted metabolomics and chemometrics reveals pharmacological action and molecular mechanism of chuanxiong by ultra performance liquid chromatography combined with quadrupole-time-of-flight-mass spectrometry.

ABSTRACT: Metabolomics methods can be used to explore the effect mechanisms underlying treatments with traditional medicine. Lung cancer (LC) causes the highest morbidity and mortality among tumors disease, and has become a serious public health problem. Chuanxiong (CX) is a dried rhizome of Ligusticum Chuanxiong Hort., often used in traditional Chinese medicine and has been widely used in the treatment for tumors. However, the pharmacological effect of CX on the metabolism process of LC mice is still unclear. This study used high-throughput untargeted metabolomics aims to discover biomarkers and metabolic pathways of LC as a potential target to provide insight into the pharmacological action and effective mechanism of CX against LC. The precise structural identification of the LC biomarker has been established using ultra performance liquid chromatography (UPLC) combined with quadrupole-time-of-flight-mass spectrometry (Q-TOF-MS) technology. UPLC-Q-TOF-MS and chemometrics methods were used to analyze the blood metabolism of LC model mice, and revealed the intervention effect of CX on LC model mice and potential therapeutic targets. The results showed that the metabolic profile clustering among the groups was obvious, and 31 potential biomarkers were finally locked, involving 7 related metabolic pathways. After treatment with CX, we found that 22 kinds of biomarkers were recalled to the main metabolic pathway which are associated with lipid metabolism. This study provides an effective biomarker reference for early clinical diagnosis of LC, and also provides a foundation for the expansion of new drugs for CX treatment of LC.

SUBMITTER: Luo W

PROVIDER: S-EPMC9075942 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

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High-throughput untargeted metabolomics and chemometrics reveals pharmacological action and molecular mechanism of chuanxiong by ultra performance liquid chromatography combined with quadrupole-time-of-flight-mass spectrometry.

Luo Wen W Zhang Jia-Wen JW Zhang Li-Juan LJ Zhang Wei W

RSC advances 20191128 67

Metabolomics methods can be used to explore the effect mechanisms underlying treatments with traditional medicine. Lung cancer (LC) causes the highest morbidity and mortality among tumors disease, and has become a serious public health problem. Chuanxiong (CX) is a dried rhizome of Ligusticum Chuanxiong Hort., often used in traditional Chinese medicine and has been widely used in the treatment for tumors. However, the pharmacological effect of CX on the metabolism process of LC mice is still unc ...[more]

PMID: 35540684

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Project description:BackgroundMetabolomics based on mass spectrometry analysis are increasingly applied in diverse scientific domains, notably agronomy and plant biology, in order to understand plants' behaviors under different stress conditions. In fact, these stress conditions are able to disrupt many biosynthetic pathways that include mainly primary metabolites. Profiling and quantifying primary metabolites remain a challenging task because they are poorly retained in reverse phase columns, due to their high polarity and acid-base properties. The aim of this work is to develop a simultaneous untargeted/targeted profiling of amino acids, organic acids, sulfur metabolites, and other several metabolites. This method will be applied on sulfur depleted barley, in order to study this type of stress, which is difficult to detect at early stage. Also, this method aims to explore the impact of this stress on barley's metabolome.ResultsUltra-high performance liquid chromatography-high resolution mass spectrometry-based method was successfully applied to real samples allowing to discriminate, detect, and quantify primary metabolites in short-runs without any additional sampling step such as derivatization or ion pairing. The retention of polar metabolites was successfully achieved using modified C18 columns with high reproducibility (relative standard deviation below 10%). The quantification method showed a high sensitivity and robustness. Furthermore, high resolution mass spectrometry detection provided reliable quantification based on exact mass, eliminating potential interferences, and allowing the simultaneous untargeted metabolomics analysis. The untargeted data analysis was conducted using Progenesis QI software, performing alignment, peak picking, normalization and multivariate analysis. The simultaneous analysis provided cumulative information allowing to discriminate between two plant batches. Thus, discriminant biomarkers were identified and validated. Simultaneously, quantification confirmed coherently the relative abundance of these biomarkers.ConclusionsA fast and innovated simultaneous untargeted/targeted method has successfully been developed and applied to sulfur deficiency on barley. This work opens interesting perspectives in both fundamental and applied research. Biomarker discovery give precious indication to understand plant behavior during a nutritional deficiency. Thus, direct or indirect measurement of these compounds allows a real time fertilization management and encounter the challenges of sustainable agriculture.

Dataset Information

High-throughput untargeted metabolomics and chemometrics reveals pharmacological action and molecular mechanism of chuanxiong by ultra performance liquid chromatography combined with quadrupole-time-of-flight-mass spectrometry.

Publications

High-throughput untargeted metabolomics and chemometrics reveals pharmacological action and molecular mechanism of chuanxiong by ultra performance liquid chromatography combined with quadrupole-time-of-flight-mass spectrometry.

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