PHYTOCHEMICAL ANALYSIS
·
2024
·
IF 3
Jia-Wei Wang,Zhi-Dong Pei,Yue-Hua Chen,Si-Yu Li,Tian-Min Wang,Ting-Guo Kang,Na Li,Ya-Mei Song,Hui-Peng Song,Hui Zhang
Introduction Marsdeniae tenacissimae Caulis (MTC), a popular traditional Chinese medicine, has been widely used in the treatment of tumor diseases. Paederiae scandens Caulis (PSC), which is similar in appearance to MTC, is a common counterfeit product. It is difficult for traditional methods to effectively distinguish between MTC and PSC. Therefore, there is an urgent need for a rapid and accurate method to identify MTC and PSC. Objectives The aim is to distinguish between MTC and PSC by analyzing the differences in nonvolatile organic compounds (NVOCs), taste, odor, and volatile organic compounds (VOCs). Methods Liquid chromatography–mass spectrometry (LC-MS) was utilized to analyze the NVOCs of MTC and PSC. Electronic tongue (E-tongue) and electronic nose (E-nose) were used to analyze their taste and odor respectively. Gas chromatography–ion mobility spectrometry (GC-IMS) was applied to analyze VOCs. Finally, multivariate statistical analyses were conducted to further investigate the differences between MTC and PSC, including principal component analysis, orthogonal partial least squares discriminant analysis, discriminant factor analysis, and soft independent modeling of class analysis. Results The results of this study indicate that the integrated strategy of LC-MS, E-tongue, E-nose, GC-IMS, and multivariate statistical analysis can be effectively applied to distinguish between MTC and PSC. Using LC-MS, 25 NVOCs were identified in MTC, while 18 NVOCs were identified in PSC. The major compounds in MTC are steroids, while the major compounds in PSC are iridoid glycosides. Similarly, the distinct taste difference between MTC and PSC was precisely revealed by the E-tongue. Specifically, the pronounced bitterness in PSC was proven to stem from iridoid glycosides, whereas the bitterness evident in MTC was intimately tied to steroids. The E-nose detected eight odor components in MTC and six in PSC, respectively. The subsequent statistical analysis uncovered notable differences in their odor profiles. GC-IMS provided a visual representation of the differences in VOCs between MTC and PSC. The results indicated a relatively high relative content of 82 VOCs in MTC, contrasted with 32 VOCs exhibiting a similarly high relative content in PSC. Conclusion In this study, for the first time, the combined use of LC-MS, E-tongue, E-nose, GC-IMS, and multivariate statistical analysis has proven to be an effective method for distinguishing between MTC and PSC from multiple perspectives. This approach provides a valuable reference for the identification of other visually similar traditional Chinese medicines.
研究领域:
中药学
·
分析化学
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2024
·
IF 3
Tiantian Zhao,Ningning Zhao,Junpeng Xing,Zhong Zheng,Zhiqiang Liu,Shu Liu
Introduction Polygalae Radix (PR) is known to relieve toxicity and increase efficiency in various diseases after processing. However, there were few studies for aromatic carboxylic acids (ACAs) due to the limited detection, especially for the metabolites within m/z 100–2000. Objectives This study aims to elucidate the whole metabolism of PR with/without licorice (LP), focusing on metabolites within m/z 100–2000 and pharmacodynamics in vivo. Material and methods This study was established by the combination of multidimensional ultra-high performance liquid chromatography coupled with a mass spectrometer (UPLC–MS) technology with protein sedimentation method to analyze metabolites in plasma, brain, colon, and stomach contents. Quantitative monitoring ACAs was enhanced with our novel stable isotope derivatization (SILD) technique. And then the pharmacokinetics (PK) study of relatively large metabolites was carried out. A targeted network pharmacology approach was established to avoid false positive results, mapping interactions relevant to Alzheimer's disease (AD), and other conditions. Results The 85 polygala metabolites were qualitatively analyzed in plasma, brain, colon, and stomach contents. The 11 types of relatively large metabolites and 8 types of ACAs were quantitatively monitored. Among them, nine types of relatively large metabolites were assessed through PK studies. In targeted network pharmacology, it highlighted the significance of small molecular metabolites, including ACAs et al, which were frequently overlooked. LP may play a more key role mainly through neural active ligand-receptor interaction, AD, and pertussis pathways. These findings have outlined a step-by-step strategy for in-depth research in vivo, laying a foundation for further verification of biological function.
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
PHYTOCHEMICAL ANALYSIS
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2024
·
IF 3
Yangfei Wei,Tao Chen,Hai Song,Shuo Wang,Cheng Shen,Xiaojun Wang,Yulin Li,Junke Wang
Introduction Screening of novel pancreatic lipase inhibitors from complex natural products is a meaningful task. Objectives Through accurately screening and separating pancreatic lipase inhibitors from Clematis tangutica ( C. tangutica ), to discover new leading compounds for slimming and accelerate the development and utilization of Tibetan medicine resources. Methods An integrated strategy that combines affinity ultrafiltration and high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (AU-HPLC-QTOFMS), targeted separation, in vitro validation, and molecular docking was developed to screen pancreatic lipase inhibitors from C. tangutica . The AU-HPLC-QTOFMS technique was performed to fish for the potential active substances. Macroporous resin, preparative liquid chromatography, and high-speed countercurrent chromatography were implemented for the accurate and targeted separation of active compounds. The inhibitory activities of target compounds to pancreatic lipase were detected by the inhibition experiments in vitro. The binding affinities and binding sites were analyzed using molecular docking. Results A total of eleven kinds of pancreatic lipase inhibitory substances were screened from C. tangutica . Seven triterpenoid saponins were screened for the first time as lipase inhibitors and successfully prepared with purities higher than 97%. Tanguticoside B, clematangoticoside J, hederoside H 1 , and rutin showed stronger inhibitory effects with IC 50 values of 1.539 ± 0.048, 1.661 ± 0.092, 1.793 ± 0.069, and 1.792 ± 0.094 mmol/l. Moreover, they have the lowest ΔG values of −10.84, −9.97, −10.87, and −9.39 kcal/mol to pancreatic lipase. Conclusion The integrated strategy using AU-HPLC-QTOFMS, targeted separation, in vitro validation, and molecular docking was feasible for rapidly screening and directionally isolating pancreatic lipase inhibitors from C. tangutica .
研究领域:
药理学
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天然产物化学
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分析化学
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分子生物学
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
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2024
·
IF 3
Kaidi Lv,Chunling Yin,Fang Li,Wenbo Chen,Liuchuang Zhao,Zhimin Liu,Leqian Hu
Introduction Quality evaluation of Huang-qin is significant to ensure its clinical efficacy. Objective This study aims to establish an accurate, rapid and comprehensive Huang-qin quality evaluation method to overcome the time-consuming and laborious shortcomings of traditional herbal medicine quality assessment methods. Methods The contents of baicalin, baicalein and scutellarin in Huang-qin from five different origins were analyzed by FT-IR and NIR spectra combined with multivariate data technology. The quality of Huang-qin from different origins was evaluated by TOPSIS and consistency analysis based on the content of three active ingredients. The correlation between ecological factors and the accumulation of active ingredients was explored. Results Satisfactory prediction results of PLS models were obtained. Relatively, the model based on FT-IR combined with the PLS regression method has higher R 2 and smaller RMSE than the NIR combined with the PLS method. TOPSIS and consistency analysis results showed that the quality of Huang-qin from different geographical origins was significantly different. The results showed that the quality of Huang-qin produced in Shanxi Province was the best among the five origins studied. The results also found that the quality of Huang-qin in different growing areas of the same origin was not completely consistent. The correlation study showed that altitude, sunshine duration and rainfall were the main factors that caused the quality difference of medicinal materials in different geographical origins. Conclusion This study provides a reference for the rapid quantitative analysis of the active components of herbal medicine and the quality evaluation of them.
研究领域:
中药学
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分析化学
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药理学
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产品关联
DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
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2024
·
IF 3
Yangling Li,Ying Su,Yongjuan Liang,Fangchan Li,Ning Lin,Lin Jiang,Qinghua Lin,Qing Chen
Introduction Kidney tea is an essential herbal medicine. It is widely used to treat conditions such as urinary stones, gallstones, and rheumatoid arthritis. There is currently no standardized or widely accepted research strategy for evaluating the quality of kidney tea granules (KTGs) after granulation. Objectives In this study, we aim to establish a comprehensive strategy for evaluating the quality of KTGs produced from different sources of kidney tea. Methods A TLC combined with HPLC method was established to identify the chemical components in KTGs, and HPLC method was used to determine the contents of rosmarinic acid of KTGs. In order to distinguish samples and identify differential components, similarity analysis, hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA) were conducted. Results TLC and HPLC detection confirmed three chemical components of KTGs, which are rosmarinic acid, caffeic acid, and lithospermic acid. HPLC fingerprint analysis revealed a total of seven common peaks in 15 batches of KTGs. Similarity analysis showed that the similarity of all 15 batches of KTGs was greater than 0.969. The peak areas of the seven common peaks were identified by chemical pattern recognition, and the results showed that most of the KTGs from different origins were clustered together, with small differences between them. The PCA and OPLS-DA results showed that two principal components can represent 82.638% of the common peaks of KTGs, among which peak 5 represents rosmarinic acid, which is the main differential biomarker of KTGs from different regions. Quantitative analysis of rosmarinic acid in KTG samples was performed using HPLC fingerprint conditions and the content of rosmarinic acid in 15 batches of KTGs samples was measured to be between 8.01–14.61 mg/g. Conclusion This study combines TLC, HPLC, and chemometrics to establish a stable and reliable method that can quickly and effectively identify the components of KTGs, accurately quantify known components in KTGs, and provide reference for the quality evaluation of KTGs.
研究领域:
中药学
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分析化学
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产品关联
DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Yv Wang,Zhewen Zhang,Liu Yang,Pei Ye,Yv Ye,Xiaoning Li,Weifeng Du
Introduction A major limitation in current Traditional Chinese Medicine (TCM) research lies in its overreliance on single-factor analyses of chemical composition or pharmacodynamics, or simplistic combined models. While these approaches partially elucidate TCM characteristics, they fail to comprehensively capture its holistic complexity and inherent quality. Objectives The three-dimensional comprehensive evaluation method of “morphology-composition-efficacy (MCE)” was creatively introduced in this study, and the quality of four different varieties of Curcumae Radix was deeply and meticulously studied. Materials and Methods Curcumae Radix from different sources was collected, and its external morphology (volume and weight, color and smell), internal composition (extract, fingerprint and literature knowledge network diagram) and drug effect (efficacy of zebrafish on improving qi stagnation and blood stasis) were analyzed. The differences in composition and morphology of four kinds of Curcumae Radix were studied by HPLC fingerprint, chromaticity identification model, and BP-ANN classification model. Secondly, through the experiment of zebrafish “qi stagnation and blood stasis” model, the improvement effect of four kinds of turmeric on “qi stagnation and blood stasis” was explored. Finally, the relationship between the three dimensions of MCE of Curcumae Radix was discussed through Pearson analysis. Results The pharmacodynamic experiment of zebrafish confirmed that all four kinds of Curcumae Radix showed the activity of treating “qi stagnation and blood stasis” and Curcuma phaeocaulis Val. (LSYJ) had the best effect comprehensively. And through Pearson analysis, it can be concluded that the smaller the external volume and weight of Curcumae Radix, the stronger the characteristic odor (W5S, W1W, and W2W), the closer the powder color is to red and yellow, the higher the internal extract (JCW) content of Curcumae Radix , the higher the contents of germacrone (JMT), furanodiene (FNEX), and β-elemene (β-LXX), and the better the efficacy of improving the disease of “qi stagnation and blood stasis,” among which JMT is the key drug component. Conclusion The research demonstrates the value of a three-dimensional evaluation system for TCM quality assessment, providing insights into the relationship between morphology, composition, and efficacy. It offers a new perspective for quality control and evaluation of Curcumae Radix and provides a scientific basis for the clinical treatment of “qi stagnation and blood stasis” related diseases.
研究领域:
中药学
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药理学
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分析化学
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产品关联
DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Tao-Tao Xue,Dong-Xuan Zheng,Qiang Hou,Li-Mei Wen,Bao-Juan Wang,Ruo-Yu Geng,Qian-Qian Wang,Wu Dai,Li-Ying Tian,Sheng-Qi He,Jian-Hua Yang,Jun-Ping Hu
Introduction Cistanche deserticola Ma (CD), an edible and medicinal plant native to Xinjiang, Inner Mongolia, and Gansu in China, is rich in bioactive polysaccharides known for their health-promoting properties. The polysaccharides of C. deserticola (CDPs) have been shown to possess a range of beneficial activities, including immunomodulatory, anti-aging, antioxidant, and anti-osteoporosis effects. Objective This study seeks to identify the optimal conditions for extracting CDPs using hot water. Additionally, it aims to evaluate their chemical properties, antioxidant activity, hypoglycemic effects, and cytotoxicity. The findings will provide a theoretical foundation for the potential use of CDPs in functional foods and pharmaceuticals. Methodology The study employed response surface methodology to optimize the hot water extraction conditions for CDPs. The extracted CDPs were characterized using a range of chemical, spectroscopic, and instrumental analyses. Furthermore, their antioxidant activity, hypoglycemic effects, and cytotoxicity were evaluated through relevant assays to assess their potential health benefits. Results Under optimal conditions, the yield of CDPs was 45.85% ± 1.91%. CDPs were identified as acidic heteropolysaccharides with a wide molecular weight distribution, ranging from 0.3 to 128.2 kDa. They were composed primarily of glucose (51.21%), arabinose (32.86%), galactose (17.88%), and smaller amounts of galacturonic acid (4.66%), rhamnose (1.85%), mannose (1.32%), glucosamine hydrochloride (1.08%), and xylose (0.56%). Antioxidant assays demonstrated that CDPs exhibited significant free radical scavenging activity, metal ion chelation, and reducing power. Additionally, CDPs inhibited α-glucosidase and α-amylase in vitro through a mixed-type mechanism, as well as static fluorescence quenching. Cytotoxicity assays showed that CDPs were nontoxic to L02 and AML12 cells. Conclusion This study offers a theoretical foundation for the potential use of CDPs in functional foods and pharmaceuticals and provides valuable insights for the development of new antioxidant and hypoglycemic agents from natural sources.
研究领域:
植物化学
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药理学
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食品科学
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产品关联
DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Zhijun Wang,Xiaomeng Tang,Lei Lv,Sicong Qiao,Mengxin Chen,Hongjie Song
Introduction Antimicrobial resistance and free radical-mediated oxidative stress and inflammation involved in many pathological processes have become treatment challenges. One strategy is to search for antimicrobial and antioxidant ingredients from natural aromatic plants. This study established a rapid and high-throughput effect-component analysis method to screen active ingredients from Ligusticum chuanxiong essential oil (CXEO). Objective The study aims to screen phthalides with antimicrobial and antioxidant activities from CXEO by high-performance thin-layer chromatography (HPTLC)-bioautography combined with HPLC-TOF/MS method. Methods Antimicrobial activity was evaluated by disc diffusion and micro broth dilution methods. Antioxidant capacity was performed by DPPH scavenging test. Phthalides in CXEO were identified using HPLC-TOF/MS method. HPTLC–bioautography technique was established to screen phthalides of antifungal and antioxidant activities. Results CXEO had significant inhibitory activity against Candida albicans , weak or undetected inhibitory activity against Staphylococcus aureus , Escherichia coli , and Pseudomonas aeruginosa . For tested strains of C. albicans , inhibition zone diameters ranged from 13 to 17 mm, and MICs were from 0.5 to 2 mg mL −1 . CXEO also had strong antioxidant activity, IC 50 value for scavenging DPPH free radicals was 1.014 ± 0.014 mg mL −1 . Nine phthalides in CXEO were tentatively identified. Ligustilide and senkyunolide A were screened to have both antimicrobial activity against C. albicans and strong DPPH scavenging property. Conclusion HPTLC-bioautography–MS-guided strategy is very practical for high-throughput screening of antifungal and antioxidant phthalides from CXEO. In vitro experiments have shown that phthalides and CXEO have good biological activities, which may be used to the treatment of C. albicans infection or oxidative stress damage caused by various diseases. The therapeutic potential should be validated in vivo in the future.
研究领域:
药理学
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植物化学
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微生物学
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产品关联
DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2024
·
IF 3
Jing Qiu,Jie Li,Si-yang Shang,Peng Zhou,Jing Leng
Introduction Huangma Tincture (HMT) is a Chinese patent medicine with a history of clinical use for more than 60 years, widely used for treating dermal chronic ulcer such as diabetic foot ulcer. However, the overall quality evaluation and control method of HMT has not yet been researched. Objective The aim of this study is to establish a comprehensive quality evaluation and control method for HMT based on high-performance liquid chromatography (HPLC) fingerprint, chemometrics, and multicomponent content determination. Methods Establishing chemical fingerprint of HMT and carrying out similarity analysis comprehensively reflect the consistency of the formulation in terms of chemical composition. Chemometrics analyses, including hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares-discriminant analysis (OPLS-DA), were performed to identify components crucial to quality differences. The content of five potential bioactive ingredients (brucine, strychnine, jatrorrhizine, coptisine, and berberine hydrochloride) was determined as a supplementary quality control measure. Results HPLC fingerprint of HMT with similarity index > 0.990 was established, in which five common compounds (brucine, strychnine, jatrorrhizine, coptisine, and berberine hydrochloride) were identified. HCA, PCA, and OPLS-DA results, validated through 200 permutation tests, were basically consistent. The contents of brucine, strychnine, jatrorrhizine, coptisine, and berberine hydrochloride in 20 batches of HMT samples were 0.2088–0.5556, 0.2599–0.9868, 0.1358–0.2092, 0.2634–0.6843, and 1.8301–2.7826 mg/mL, respectively. Conclusion HPLC fingerprint combined with chemometrics and multicomponent content determination considering both effect and toxicity provides a robust method for the comprehensive quality evaluation and control of HMT.
研究领域:
中药学
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分析化学
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药理学
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2017
·Vol. 28
·期 4
·351-359
·
IF 2.292
Mingfang Li,Yuan Du,Long Wang,Lilong Jiang,Xiaodong Ma,Ping Zhou,Ping Li,Huijun Li
Introduction Gastrodia elata tuber (GET) has been widely used in China as a famous herbal medicine. However, the quality control markers (QCMs) for GET still need further investigation. Objective To develop a rational strategy based on fingerprint-efficacy relationship modelling to discover the efficacy-related QCMs, using GET as a case study. Methodology The high-performance liquid chromatography (HPLC) fingerprints of 13 batches of GET extracts were established and 10 common peaks were structurally characterised by HPLC coupled with quadrupole time-of-flight mass spectrometry (QTOF-MS). The neuroprotective effects of GET samples were evaluated using the in vitro model of β-amyloid peptide (Aβ 25–35 )-induced PC12 cell death. The fingerprint-efficacy relationship of chemical fingerprints and neuroprotective effects was linked by orthogonal projection to latent structure-discriminant analysis (OPLS-DA) model. Results The chemical combination of 5-hydroxymethyl-2-furaldehyde (5-HMF), parishin B (PB) and parishin C (PC) was discovered and confirmed as QCMs of GET by the OPLS-DA method. The selected QCMs allowed to evaluate the relative quality of GET samples. Conclusion This study has demonstrated that the rational strategy based on fingerprint-efficacy relationship modelling might be generally applicable for the quality control of herbal medicines. Copyright © 2017 John Wiley & Sons, Ltd.
研究领域:
生药学
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药物化学
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神经科学
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
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2026
·
IF 2.9
Yu Xia,Xinyi Zhong,Chenggang Zhang
Background Hypoxia is a core pathological factor in myocardial injury and is involved in the development of various cardiovascular diseases. Although baicalein shows cardiovascular protective potential, its mechanism against hypoxic injury remains unclear. Methods H9c2 cardiomyocytes were exposed to sodium sulfite to establish a chemical hypoxia model. Network pharmacology, molecular docking, molecular dynamics simulation, and molecular biology assays were employed to predict the core target and investigate the underlying mechanism. Results Network pharmacology identified ESR1 as a core target, with stable binding to baicalein confirmed by molecular docking and dynamics simulations. Baicalein alleviated hypoxia-induced oxidative stress by elevating key antioxidant markers and reducing malondialdehyde levels. It also ameliorated energy metabolism disorders, reduced lactate dehydrogenase release, suppressed reactive oxygen species production, and decreased cell apoptosis. Furthermore, baicalein upregulated hypoxia-suppressed ESR1 protein expression and enhanced its co‑localization with the antiapoptotic protein BCL-XL. The cytoprotective effects were abolished by the ESR1 inhibitor fulvestrant. Conclusion These findings demonstrate that baicalein protects cardiomyocytes against hypoxic injury through an ESR1‑dependent mechanism by modulating the BCL‑XL/BAX apoptotic balance, mitigating oxidative stress, and improving energy metabolism.
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2021
·Vol. 32
·期 6
·1074-1081
·
IF 3.373
Yanfang Wu,Yindi Chu,Qinyu Yang,Mengjia Li,Miao Yu,Ruixue Deng,Kun Liu,Xinsheng Wang,Enguo Fan
Introduction Syringa pubescens Turcz. was reported to be abundant in the Funiu Mountains of Henan Province and can be used to treat hepatitis and cirrhosis. In order to develop and utilise the resource, a fast and simple technique to extract bioactive compounds is needed. Objectives Our aims were to provide an extraction technique of glycosides from S. pubescens and study the antioxidant activity of this material. Methods Box–Behnken design (BBD) was employed with three factors at three levels. The process parameters such as ethanol concentration ( X 1 ), temperature ( X 2 ), and solvent–solid ratio ( X 3 ) could significantly influence efficiency and yield of target compounds. High-performance liquid chromatography (HPLC) was used to determine the content of glycosides. DPPH (α,α-diphenyl-β-picrylhydrazyl), ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) and reducing power were used to evaluate the antioxidant activity of S. pubescens extract. Results The optimal parameters for the maximal extraction yield were obtained with ethanol concentration of 68%, temperature of 89°C, solvent–solid ratio of 46 mL/g, and time of 20 min. The S. pubescens extract showed strong antioxidant properties in vitro . Conclusion The findings indicated the potential application of solvothermal extraction method to extract bioactive compounds from S. pubescens Turcz. Furthermore, the S. pubescens extract could be used as an important resource of antioxidant activity.
研究领域:
植物化学
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药用植物学
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天然产物化学
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）