PHYTOCHEMICAL ANALYSIS
·
2023
·Vol. 34
·期 5
·540-547
·
IF 3.3
Ningning Zhao,Junpeng Xing,Zhong Zheng,Fengrui Song,Zhiqiang Liu,Shu Liu
Introduction Relieving toxicity and enhancing a calming effect after processing Polygalae Radix (PR) are widely known. Aromatic carboxylic acids (ACAs) may be crucial processed products. However, due to the limited detection methods for ACAs, the whole metabolic profiles via intestinal bacteria are still not very clear. Objective Designing a novel strategy for the detection of ACAs and tracking the whole metabolic profiles before and after processing PR. Materials and Methods The stable-isotope labelling derivatisation (SILD) method based on multidimensional ultra-high performance liquid chromatography coupled with a mass spectrometer (UHPLC-MS) technology and UNIFI-pathway mode was firstly designed to systematically study the metabolisms of all the drug-derived ingredients ranging from m/z 100 to 2000 in processing PR via intestinal bacteria. Firstly, the SILD with UHPLC coupled with a triple-quadrupole MS technology was designed to trace eight ACA metabolites of the processed PR with intestinal bacteria. Additionally, the UHPLC coupled with a quadrupole time-of-flight MS with UNIFI-pathway mode was adopted to monitor relatively big metabolites. Results The metabolism mechanism of ACAs (eight kinds) and the relatively big molecular metabolites (98 kinds) were deeply traced in PR, PR with refined honey (HP), and PR with licorice (LP) via the intestinal bacteria. Totally 106 intact metabolic profiles of drug-derived ingredients were presented. Importantly, the influence of LP on the metabolism of compounds after incubation of intestinal bacteria was greater than that of HP. Conclusion This research provides a comprehensive and systematic guidance for further study on in vivo metabolisms of the processed PR.
研究领域:
中药学
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代谢组学
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药理学
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DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2023
·
IF 3.4
Shu Chen,Li Liu,Hong-Xia Jiang,Qun Sun,Liang Zhang,Jian-Qun Liu,Li-Fang Liu
Tripterygium wilfordii (TW), a well-known traditional Chinese medicine , was widely used in the treatment of autoimmune disorders and inflammatory diseases . However, the clinical use of TW was limited by severe toxicities, such as hepatotoxicity and nephrotoxicity . Our previous studies indicated that roasting was an effective approach for reducing TW-induced toxicity. After roasting, celastrol was completely decomposed, partially converted into 1-hydroxy-2,5,8-trimethyl-9-fluorenone and the total alkaloids content were significantly reduced. However, the detoxication mechanisms of roasting on TW were poorly unknown. This study aimed to explore the toxicity and detoxification mechanisms of TW after roasting based on urine metabolomics. Promising biomarkers were evaluated by multiple comparison analyses. Sixteen toxicity biomarkers were identified between control group and total extract group. Twelve toxicity biomarkers were identified between control group and total alkaloids group. Eight toxicity biomarkers were identified between control group and celastrol group. These metabolites were mainly involved in seven metabolic pathways, summarized as pentose and glucuronate interconversions, lipid metabolism (sphingolipid metabolism, glycerophospholipid metabolisms, fatty acid biosynthesis and steroid hormone biosynthesis) and amino acid metabolism (taurine and hypotaurine metabolism, tryptophan metabolism). After roasting, the toxicities of total extract, total alkaloids and celastrol were relieved by ameliorative serum parameters and pathological changes in hepatic and renal tissues which revealed that the reduction of celastrol and total alkaloids played important roles in the detoxification of roasting on TW. Furthermore, roasting regulated the levels of fourteen potential biomarkers in the total extract group, ten potential biomarkers in the total alkaloids group and seven candidate biomarkers in the celastrol group to normal levels. Biological pathway analysis revealed that roasting may ameliorate TW-induced metabolic disorders in pentose and glucuronate interconversions, lipid metabolism and amino acid metabolism. This study provided evidence for the application of roasting in TW.
研究领域:
中药学
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毒理学
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代谢组学
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PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 39
·期 7
·e70121
·
IF 1.7
Aoli Shang,Yadong Li,Ying Zhao,Jun Chen
This study aimed to investigate the differences in polysaccharides in Astragali Radix (AR) from different sources, as well as before and after honey processing, through the analysis of enzymatic hydrolysates. The hydrolysis product of astragalus polysaccharides (APS) by β-galactosidase was characterized using hydrophilic interaction ultra-high-performance liquid chromatography coupled with time-of-flight mass spectrometry (HILIC-UHPLC-QTOF/MS). The results indicated that all oligosaccharide fragments were composed of hexoses, with sugar groups linked by 1,6-glycosidic bonds. APS enzymatic hydrolysates fingerprints were established using hydrophilic interaction high-performance liquid chromatography with an evaporative light scattering detector (HILIC-HPLC-ELSD) and comprehensively evaluated based on their similarity. Semi-quantitative analysis of each enzymatic hydrolysate was performed, combined with partial least squares discriminant analysis (PLS-DA) and significance testing to further analyze the main differential sugar fragments of AR in different growth modes and before and after honey processing. Glucose and oligosaccharides with degree of polymerization (DP) of 5 and 6 were identified as indicators to distinguish different growth modes. Glucose can serve as an indicator to distinguish raw AR from honey-processed AR (HAR). This study identified quality evaluation indicators of APS based on saccharide mapping, providing a reference for the development of quality standards for AR.
研究领域:
中药学
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分析化学
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植物化学
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PubMed
高影响因子
JOURNAL OF SEPARATION SCIENCE
·
2023
·Vol. 46
·期 8
·2200792
·
IF 3.1
Hui Ni,Jinjun Hou,Linlin Zhang,Xingdong Wu,Wenyong Wu,Haoran Yin,Zijia Zhang,Huali Long,Min Lei,Wanying Wu,De-an Guo
The processing of Traditional Chinese Medicine requires the appropriate parameters, while the specific chemical markers are still absent to obtain the optimized processing. In this study, we used vinegar-baked Euphorbia kansui as a case to dissect the chemical markers for the baking process using untargeted metabolomics. The robust chemical markers were selected based on the three rules, correlation, significant difference, and controllability. All the differential features were categorized based on their mass defects. After the differential analysis, 310 differential compounds were screened out and could be mainly divided into six categories: diacylglycerols and triacylglycerols demonstrated increasing trends with the baking time in the discriminant model, while ingenane-type diterpenes, jatrophane-type diterpenes, fatty acid esters, and fatty acids had decreasing trends. It was unexpected to find that the diterpenes did not correlate with the baking time. Only very few compounds meet the three rules. They were validated with a high-performance liquid chromatography method. Finally, only 13-Hydroxy-9,11-octadecadienoic acid and its isomer 9-Hydroxy-10,12-octadecadienoic acid could be used further to differentiate the commercial vinegar-baked Euphorbia kansui . It would be of interest to evaluate whether these two compounds could be utilized as markers to control more processing methods in future studies.
研究领域:
中药学
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代谢组学
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药理学
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DOI
PubMed
高影响因子
Frontiers in Pharmacology
·
2023
·
IF 5.6
Sun E.,Huang Ran,Ding Ke,Wang Ling,Hou Jian,Tan Xiaobin,Wei Yingjie,Feng Liang,Jia Xiaobin
Introduction: Epimedium, a traditional Chinese medicine (TCM) commonly used in ancient and modern China, is one of the traditional Chinese medicines clinically used to treat kidney yang deficiency syndrome (KYDS). There are differences in the efficacy of Epimedium before and after processing, and the effect of warming the kidney and enhancing yang is significantly enhanced after heating with suet oil. However, the active compounds, corresponding targets, metabolic pathways, and synergistic mechanism of frying Epimedium in suet oil to promote yang, remain unclear.Methods: Herein, a strategy based on comprehensive GC-TOF/MS metabolomics and network pharmacology analysis was used to construct an “active compounds-targets-metabolic pathways” network to identify the active compounds, targets and metabolic pathways involved. Subsequently, the targets in kidney tissue were further validated by real-time quantitative polymerase chain reaction (RT-qPCR). Histopathological analysis with physical and biochemical parameters were performed.Results: Fifteen biomarkers from urine and plasma, involving five known metabolic pathways related to kidney yang deficiency were screened. The network pharmacology results showed 37 active compounds (13 from Epimedium and 24 from suet oil), 159 targets, and 267 pathways with significant correlation. Importantly, integrated metabolomics and network pharmacologic analysis revealed 13 active compounds (nine from Epimedium and four from suet oil), 7 corresponding targets (ALDH2, ARG2, GSTA3, GSTM1, GSTM2, HPGDS, and NOS2), two metabolic pathways (glutathione metabolism, arginine and proline metabolism), and two biomarkers (Ornithine and 5-Oxoproline) associated with improved kidney yang deficiency by Epimedium fried with suet oil.Discussion: These finds may elucidate the underlying mechanism of yang enhancement via kidney warming effects. Our study indicated that the mechanism of action mainly involved oxidative stress and amino acid metabolism. Here, we demonstrated the novel strategies of integrating metabolomics and network pharmacology in exploring of the mechanisms of traditional Chinese medicines.
研究领域:
药理学
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中医药学
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代谢组学
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系统生物学
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DOI
PubMed
高影响因子
Frontiers in Chemistry
·
2025
·
IF 4.2
Yang Yang,Xuemei Wei,Shuya Zhang,Yun Li,Jiazhen Wu,Suhua Cai,Biren Wang,Zhiming Yang,E. Yang,Junling Cao,Qinhua Chen,Guihong Chen
Background: Aconiti Lateralis Radix Praeparata (Fuzi), a vital yet toxic herbal medicine, faces significant challenges in standardization due to varied processing methods that undermine detoxification efficacy and hinder therapeutic optimization.Methods: An integrative analytical approach combining scanning electron microscopy (SEM), X-ray diffraction (XRD), metabolomics, and pharmacodynamic evaluation was employed to investigate the structural, compositional, and functional transformations during Fuzi processing.Results: SEM imaging and XRD data revealed that the morphological breakdown of starch granules varied according to processing technique. Metabolomics analysis based on mass spectrum identified 57 diterpenoid alkaloids, including 12 bioactive components, whose levels fluctuated across nine processing variants. Pharmacodynamic profiling revealed distinct efficacy-safety trade-offs across these variants, underscoring the pivotal role of processing methods in determining clinical risk profiles and therapeutic indices.Conclusion: This study elucidated the structure-composition-efficacy correlations in Fuzi processing, highlighting the relationship between starch reorganization, alkaloid modification, and therapeutic outcomes. These insights offer a mechanistic basis for refining traditional processing protocols, optimizing detoxification and therapeutic retention, and advancing standardization in herbal medicine.
研究领域:
中药炮制学
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天然药物化学
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代谢组学
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药效动力学
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晶体学
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植物药标准化
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药物安全性评价
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PubMed
高影响因子
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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2023
·
IF 4.4
Jing Sun,Bo Zhu,Yixuan Sun,Zhihong Li,Ling Dong,Jianbo Chen
Scutellariae Radix (SR) is a common herb in Asia and Europe. In the clinical practice of traditional Chinese medicine, the raw SR is often stir-baked to partly scorch to reduce the side effects (stomach discomfort, diarrhea, etc.) but enhance some desired effects (such as the hemostatic activity). The scorching degree is crucial to assure the safety and efficacy of the scorched SR. Under-scorching is insufficient to adapt the adverse and favorable activities, while over-scorching can destroy all activities. Up to now, the scorching degree of SR is still determined by the manual observation of colors. Since the visual judgement is vulnerable to personal knowledge and experience, it is difficult to control the optimization and consistence of the scorching degree of SR. This research was designed to explore the potential indicators that can exactly reflect the scorching degree of SR and be measured objectively and quantitatively. A total of 15 morphological and chemical properties as well as Fourier transform infrared (FTIR) spectroscopy were included to profile the variations of the SR slices that were stir-baked at different temperatures for different times. According to the principal component analysis and statistical tests, 10 properties showed close relationships with the scorching degree of SR. As the increase of the heating time at the same heating temperature, the yield, L*, a*, b*, sucrose, baicalin and wogonoside decreased continuously and showed the monotone variation patterns. Meanwhile, 5-HMF, baicalein and wogonin showed the inflection variation patterns, which means these properties increased in the earlier stage but decreased in the later stage during the scorching process. FTIR spectra also revealed the variations of flavonoids and carbohydrates. The scorching degree of SR can be determined by the intuitive observation of FTIR spectral peaks at 1738 cm −1 , 1705 cm −1 , 1611 cm −1 , 1586 cm −1 , 1450 cm −1 , 1410 cm −1 and 1023 cm −1 . In summary, FTIR spectroscopy can be used for the rapid assessment of the scorching degree of SR, while the contents of flavonoid glycosides and aglycones may be used as the quality criteria of the scorched SR.
研究领域:
生药学
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分析化学
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中医药学
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光谱学
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2023
·
IF 1.8
Tao Zhang,Yating Xie,Tao Li,Yaling Deng,Quan Wan,Tingting Bai,Qing Zhang,Zhongxi Cai,Mingxia Chen,Jinlian Zhang
Polygoni Multiflori Radix (PMR) is a medicinal herb commonly used in China and Eastern Asia. Recently, the discovery of hepatotoxicity in PMR has received considerable attention from scientists. Processing is a traditional Chinese medicine technique used for the effective reduction of toxicity. One uncommon technique is the braising method—also known as ‘Wen-Fa’ in Chinese—which is used to prepare tonics or poisonous medications. Braised PMR (BPMR)—also known as ‘Wen-He-Shou-Wu’—is one of the processed products of the braising method. However, the non-volatile components of BPMR have not been identified and examined in detail, and therefore, the hepatotoxic advantage of BPMR remains unknown. In this study, we compared the microscopic characteristics of different samples in powder form using scanning electron microscopy (SEM), investigated the non-volatile components, assessed the effects of different processed PMR products on the liver, and compared the differences between BPMR and PMR Praeparata recorded in the Chinese Pharmacopoeia (2020 edition). We found that the hepatotoxicity of BPMR was dramatically decreased, which may be related to an increase in polysaccharide content and a decrease in toxic substances. The present study provides an important foundation for future investigations of the processing mechanisms of BPMR.
研究领域:
药理学
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毒理学
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中医药
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植物化学
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产品关联
DOI
PubMed
高影响因子
ACS Omega
·
2021
·
IF 3.512
Yun Wang,Puling Li,Xue Zhang,Lingyun Li,Mengjiao Liu,Xiaoqing Li,Yejia Dai,Cun Zhang,Shaojing Li
The processing method for Chinese traditional herbal medicine is “Pao Zhi” in Chinese. This study examined the efficacy of the Pao Zhi on the preparations of Gardeniae Fructus (GF) on a mitochondrial respiratory function in rats. To determine the efficacy of Pao Zhi, we investigated the effects of GF heat processing on mitochondrial respiratory function. To test the GF components, the rats were randomly divided into a geniposide-alone group, crocin-alone group, and combination groups and treated with geniposide and crocin at different ratios. The results showed that a high dose, raw GF was more effective in improving the neurological function, mitochondrial respiratory function, and activities of Na+-K+-ATPase and Ca2+-Mg2+-ATPase than the preparations that underwent heating. Moreover, mitochondrial ROS production was the lowest in the raw GF-treated group. In addition, treatments with crocin and GC3 were more effective than geniposide in improving the functional deficit in MCAO rats. In conclusion, our results suggest that raw GF is the most suitable preparation for the treatment of cerebral ischemia, and its underlying mechanisms may be associated with the improvement of mitochondrial respiratory function, increased activities of Na+-K+-ATPase and Ca2+-Mg2+-ATPase, and reduced oxidative stress in mitochondria. Our findings suggest that raw GF, especially crocin, could be an ideal therapeutic agent for ischemic stroke.
研究领域:
药理学
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神经科学
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中医药学
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线粒体生物学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2025
·
IF 3.1
Yaqi Wang,Ping Shu,Mei Lv,Yonghao Xing,Haoran Zhang,Xiaojing Yan,Bo Wang,Tingting Huang,Minfeng Fang
Farfarae Flos and its honey-processed product are used to treat respiratory diseases; yet their active components and therapeutic targets remained unclear. Herein, we developed an integrated strategy combining receptor chromatography and mice models to screen and evaluate active components in both raw and honey-processed Farfarae Flos. We focused on three key receptors,β 2 -AR, CysLT 1 R, and M 3 R, known to be involved in antitussive, anti-inflammatory, and expectorant activities. These receptors were immobilized onto silica gels to construct affinity columns. Using these columns, we identified the bioactive compounds in both forms of Farfarae Flos. The results revealed an identical set of target-specific compounds across raw and honey-processed samples: chlorogenic acid (CGA) and caffeic acid (CA) targeted β 2 -AR; CGA and rutin bound to CysLT 1 R; and CGA along with isochlorogenic acids A, B, and C interacted with M 3 R. Notably, the interactions of rutin with CysLT 1 R and isochlorogenic acids A, B, and C with M 3 R are reported for the first time. These findings indicate that both raw and honey-fired Farfarae Flos share the same material basis for their antitussive, anti-inflammatory, and expectorant effects, with no significant alteration in pharmacological efficacy due to honey processing. Furthermore, the binding affinities of the bioactive compounds for the receptors correlated well with the molecular docking-predicted binding energies of the corresponding compound-receptor complexes. To our knowledge, this study represents the first target-centric comparative analysis of raw and processed Farfarae Flos. It establishes a generalizable framework for investigating processing-induced changes in herbal pharmacology and provides empirical evidence connecting metabolomic profiles to clinical efficacy.
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高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2023
·Vol. 415
·期 9
·1719-1732
·
IF 4.3
Zhang Jiuba,Li Yu,Wang Bin,Song Jiantao,Li Mingxuan,Chen Peng,Shen Zheyuan,Wu Yi,Mao Chunqin,Cao Hui,Wang Xiachang,Zhang Wei,Lu Tulin
It is well known that the processing method of herbal medicine has a complex impact on the active components and clinical efficacy, which is difficult to measure. As a representative herb medicine with diverse processing methods, Radix Paeoniae Alba (RPA) and its processed products differ greatly in clinical efficacy. However, in some cases, different processed products are confused for use in clinical practice. Therefore, it is necessary to strictly control the quality of RPA and its processed products. Giving that the time-consuming and laborious operation of traditional quality control methods, a comprehensive strategy of near-infrared (NIR) spectroscopy combined with multivariate algorithms was proposed. This strategy has the advantages of being rapid and non-destructive, not only qualitatively distinguishing RPA and various processed products but also enabling quantitative prediction of five bioactive components. Qualitatively, the subspace clustering algorithm successfully differentiated RPA and three processed products, with an accuracy rate of 97.1%; quantitatively, interval combination optimization (ICO), competitive adaptive reweighted sampling (CARS), and competitive adaptive reweighted sampling combined with successive projections algorithm (CARS-SPA) were used to optimize the PLS model, and satisfactory results were obtained in terms of wavelength selection. In conclusion, it is feasible to use NIR spectroscopy to rapidly evaluate the effect of processing methods on the quality of RPA, which provides a meaningful reference for quality control of other herbal medicines with numerous processing methods. Graphical Abstract
研究领域:
药学
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分析化学
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中药学
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产品关联
DOI
PubMed
高影响因子
Chinese Journal of Natural Medicines
·
2025
·
IF 4.9
Yang Yu,Changliang Yao,Jianqing Zhang,Yong Huang,Shuai Yao,Hua Qu,Tong Zhang,Dean Guo
Aconiti Lateralis Radix Praeparata (Fuzi) represents a significant traditional Chinese medicine (TCM) that exhibits both notable pharmacological effects and toxicity. Various processing methods are implemented to reduce the toxicity of raw Fuzi by modifying its toxic and effective components, primarily diterpenoid alkaloids. To comprehensively analyze the chemical variations between different Fuzi products, ultra-high performance liquid chromatography-linear ion trap quadrupole Orbitrap mass spectrometry (UHPLC-LTQ-Orbitrap MS) was employed to systematically characterize Shengfuzi, Heishunpian and Baifupian. A total of 249 diterpenoid alkaloids present in Shengfuzi were identified, while only 111 and 61 in Heishunpian and Baifupian were detected respectively, indicating substantial differences among these products. An untargeted metabolomics approach combined with multivariate statistical analysis revealed 42 potential chemical markers. Through subsequent validation using 52 batches of commercial Heishunpian and Baifupian samples, 8 robust markers distinguishing these products were identified, including AC1-propanoic acid-3OH, HE-glucoside, HE-hydroxyvaleric acid-2OH, dihydrosphingosine, N -dodecoxycarbonylvaline and three unknown compounds. Additionally, the MS imaging (MSI) technique was utilized to visualize the spatial distribution of chemical constituents in raw Fuzi, revealing how different processing procedures affect the chemical variations between Heishunpian and Baifupian. The distribution patterns of different diterpenoid alkaloid subtypes partially explained the chemical differences among products. This research provides valuable insights into the material basis for future investigations of different Fuzi products.
研究领域:
分析化学
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植物化学
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代谢组学
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质谱学
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中药学
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生药学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）