PHYTOMEDICINE
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2022
·
IF 6.656
Wanqian Peng,Zhiqiang Li,Dingji Cai,Xiaocui Yi,Ji Yue (Jeff) Zhang,Guoyue Zhong,Hui Ouyang,Yulin Feng,Shilin Yang
Background Pinnatifolone A is a typical sesquiterpenoid and the primary active ingredient of Syringa oblata Lindl., has potent anti-inflammatory activity. However, Pinnatifolone A pharmacokinetic and metabolites analysis investigations in male and female rats, as well as its in vitro stability in male and female rat liver microsomes , have not been evaluated and compared. Purpose To investigate preclinical pharmacokinetic and metabolite in both genders, confirm gender differences, and provide usable information for the development of clinical applications. Methods A quick, precise, and sensitive LC-MS/MS method was created and effectively used to determine the pharmacokinetics of oral (140 mg/kg) and intravenous (6.3 mg/kg) Pinnatifolone A in male and female rats, in vitro Pinnatifolone A elimination studies in male and female rat liver microsomes. Following that, a UHPLC-Q-TOF-MS/MS technique was established to identify the metabolic profiles of Pinnatifolone A obtained from rat plasma and excreta. Results In the current study, we established for the first time an LC-MS/MS method for the quantitation of Pinnatifolone A with acceptable linearity and selectivity, recovery and matrix effect, accuracy and precision. The absolute oral bioavailability of Pinnatifolone A was approximately 30.36% in female rats, the clearance (CL) was 20.99±3.33 l/h/kg in female rats and 472.37±437.31 l/h/kg in male rats. This difference in rat genders may pertain to the sex-specific expression of hepatic enzymes as demonstrated in the metabolic stability evaluation in the present research; the male rats exhibited higher CL int(mic) (158.83±9.57 μl/min/mg protein) than female rats (76.47±7.90 μl/min/mg protein) liver microsomes, indicating higher Pinnatifolone A clearance in male rats. Twenty-four metabolites were detected and identified in female and male rats; N-acetylcysteine conjugation metabolite was the most abundant metabolites in both rat feces and urine. Furthermore, male and female rats had significantly different levels of the N-acetylcysteine conjugation metabolite. Hydrogenation metabolite was particular to female rats both in rat fecal and urine. Glucuronide conjugation metabolite was the predominant metabolite in rat plasma, and its amount in female rats was double that of male rats. Conclusions The present research is the first to report the preclinical pharmacokinetics and metabolites of Pinnatifolone A in male and female rats, confirming the gender-based differences. The findings provide a comprehensive overview for further understanding of the pharmacokinetic and metabolic characteristics of Pinnatifolone A and serve as a guide for its future development and utilization.
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PubMed
高影响因子
Analytical Science Advances
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2025
·Vol. 6
·期 2
·e70037
·
IF 4.1
Dan-ping Liu,Bi-cheng Yang,Qiao-yun Huang,Ping Liu,Hai-yan Luo,Mao-lin Yu,Jian-qiong Yang,An Jia,Yan-qiu Liu,Lin Xu,Bin Hu,Ting Huang
In this work, we developed a matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) method to directly analyze human whole blood samples. 1.0 µL of whole blood samples and 1.0 µL of optimized organic matrix were directly loaded onto the sample plates for MALDI-TOF-MS detection. A total of 59 whole blood samples were investigated in this work, including 23 healthy control samples, 28 α-globin gene triplication carriers with α-chain repetition, and eight deletional hemoglobin H disease (HbH) patients with α-chain deficiency. Human hemoglobin (Hb) chains with high signal-to-noise were directly observed. It is found that there is a change in signal ratios of α/β-chains of Hb from blood samples in thalassemia subtypes by comparing the ratios obtained from healthy blood samples. Analytical variability ( n = 6) of signal ratios of α/β-chains was found to be 3.33%–12.86% (intra-day), 4.02%–13.39% (inter-day), and 6.41%–15.32% (inter-laboratory), respectively. Furthermore, the results were validated using different MALDI-TOF MS approaches. Our results suggest that α/β-chains ratios of Hb could be an indicator for investigating thalassemia by MALDI-TOF-MS.
研究领域:
质谱分析
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临床化学
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血液学
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遗传学
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蛋白质组学
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PubMed
高影响因子
Chinese Herbal Medicines
·
2022
·
IF 0
Xia Gao,Jiajia Wang,Xialin Chen,Shanli Wang,Chaojie Huang,Quanchang Zhang,Liang Cao,Zhenzhong Wang,Wei Xiao
Objective To elucidate the anti-inflammatory mechanism of Reduning Injection (RDN) by analyzing the potential biomarkers and metabolic pathways of the carrageenan-induced inflammatory model from the overall metabolic level. Methods Rat inflammatory model was established by carrageenan. UPLC-Q-TOF/MS was used to detect and analyze changes of endogenous metabolites in the serum and urine of carrageenan-induced inflammatory rats. Combined with multivariate analysis and databases analysis, inflammatory-related potential biomarkers were screened and identified to analyze possible metabolic pathways. The reliability and biological significance of these biomarkers was verified by metabolic network analysis and correlation analysis with pharmacodynamic indicators. Results A total of 16 potential biomarkers were screened and identified by multivariate analysis and metabolite databases, among which 13 species could be adjusted by RDN. The metabolism pathway analysis revealed that histidine metabolism, sphingolipid metabolism, and tyrosine metabolism were greatly disturbed. Their biomarkers involved urocanic acid, sphingosine, and norepinephrine, all of which showed a callback trend after RDN treatment. The three biomarkers had a certain correlation with some known inflammatory-related small molecules (histamine, arachidonic acid, Leukotriene B4, and PGE 2 ) and pharmacodynamic indicators (IL-6, IL-1β, PGE 2 and TNF-α), which indicated that the selected biomarkers had certain reliability and biological significance. Conclusion RDN has a good regulation of the metabolic disorder of endogenous components in carrageenan-induced inflammatory rats. And its anti-inflammatory mechanism is mainly related to the regulation of amino acid and lipid metabolism. This research method is conducive to the interpretation of the overall pharmacological mechanism of Chinese medicine.
研究领域:
药理学
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炎症研究
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代谢组学
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中药
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DOI
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2016
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IF 3.169
Yang Li,Ying Peng,Mengyue Wang,Guisheng Zhou,Yulong Zhang,Xiaobo Li
Cistanches Herba is a famous traditional Chinese medicine that has been in use for treating kidney deficiency, impotence, female infertility, morbid leucorrhea, profuse metrorrhagia, and senile constipation. With the exception of studies available for a few single active ingredients such as echinacoside, acteoside, and poliumoside, comprehensive and systematic studies on in vivo metabolism of Cistanches Herba are lacking despite its widespread clinical application. There is no comparative study yet on the metabolites resulting from the traditional usage of Cistanche deserticola and C. tubulosa water extract – two species that are recorded in Chinese Pharmacopoeia. This further restricts research on the therapeutic effect of Cistanches Herba to a great extent. In this study, a robust and unbiased UPLC-Q-TOF-MS combined pattern recognition analysis (orthogonal partial least squared discriminant analysis, OPLS-DA) was employed to rapidly screen prototype components and metabolites of C. deserticola and C. tubulosa water extract in rat urine, feces, and serum. A total of 71 metabolites from C. deserticola including 25 prototype components and 46 metabolites, and 45 metabolites from C. tubulosa including 18 prototype components and 27 metabolites were tentatively identified. Out of these, 10 metabolites were characterized for the first time in these two species. Results of this study indicate that phenylethanoid glycosides (PhGs) are mainly metabolized into degradation products in the gastrointestinal tract of rats. The chemical components cistanoside B, C, D, and E exist only in C. deserticola and release methylated hydroxytyrosol (HT) following metabolism. This factor contributes to the difference between metabolites of C. deserticola and C. tubulosa water extract in rats and is responsible for the differential therapeutic effect that these two species of Cistanches Herba have on the same diseases.
研究领域:
药理学
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分析化学
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中医药学
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PubMed
高影响因子
MOLECULES
·
2019
·Vol. 24
·期 7
·1203
·
IF 3.06
Mengying Wei,Yuanyuan Liu,Zifeng Pi,Shizhe Li,Mingxin Hu,Yang He,Kexin Yue,Tianshu Liu,Zhiqiang Liu,Fengrui Song,Zhongying Liu
Lignans fromSchisandra chinensis(Turcz.) Baill can ameliorate cognitive impairment in animals with Alzheimer’s disease (AD). However, the metabolism of absorbed ingredients and the potential targets of the lignans fromS. chinensisin animals with AD have not been systematically investigated. Therefore, for the first time, we performed an in-vivo ingredient analysis and implemented a target-network pharmacology strategy to assess the effects of lignans fromS. chinensisin rats with AD. Ten absorbed prototype constituents and 39 metabolites were identified or tentatively characterized in the plasma of dosed rats with AD using ultra high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry. Based on the results of analysis of the effective constituents in vivo, the potential therapeutic mechanism of the effective constituents in the rats with AD was investigated using a target-network pharmacology approach and independent experimental validation. The results showed that the treatment effects of lignans fromS. chinensison cognitive impairment might involve the regulation of amyloid precursor protein metabolism, neurofibrillary tangles, neurotransmitter metabolism, inflammatory response, and antioxidant system. Overall, we identified the effective components of lignans inS. chinensisthat can improve the cognitive impairment induced by AD and proposed potential therapeutic metabolic pathways. The results might serve as the basis for a fundamental strategy to explore effective therapeutic drugs to treat AD.Keywords:Alzheimer’s disease;lignan;metabolite identification;Schisandra chinensis;target-network pharmacology;UHPLC–Q-TOF-MS
研究领域:
药理学
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神经科学
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分析化学
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中药学
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PubMed
高影响因子
MOLECULES
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2019
·Vol. 24
·期 7
·1439
·
IF 3.06
Ling Li Chen,Shan Shan Chu,Ling Zhang,Jin Xie,Min Dai,Xin Wu,Hua Sheng Peng
Background: Qianhu is a traditional Chinese medicine. It is thought that Qianhu roots will harden after bolting and not be suitable for medicinal purposes. Bolting Qianhu and unbolting Qianhu are referred to as “Xiong Qianhu” and “Ci Qianhu,” respectively. In this study, the properties, microscopic and chemical characteristics of Ci Qianhu and Xiong Qianhu roots were compared using fluorescence microscopy, laser microdissection coupled with ultra-high-performance liquid chromatography-quadrupole/time-of-flight mass spectrometry, and high-performance liquid chromatography with diode-array detection. Results: Microscopy results showed that the area of secondary xylem in the root increased after bolting, with the cork and secretory canals showing strong fluorescence intensity. A total of 34 peaks, mostly pyranocoumarins, were identified in the tissues of Ci Qianhu and Xiong Qianhu. The secretory canals contained the highest variability of coumarins, whereas the secondary xylem contained the least coumarins. Moreover, seven coumarins, especially the pyran- coumarin, decreased after bolting. Generally, both before and after bolting, coumarin level was the highest in the bark, followed by the middle part, and the lowest in the inner part. Conclusion: Thus, it was indicated that the area of secondary xylem increased after bolting, however the coumarin variant and content decreased in the secondary xylem of Qianhu. The result shows that the quality of Qianhu decreases after bolting, which supports the viewpoint that Xiong Qianhu is not suitable for medicinal use.Keywords:bolting;Peucedanum praeruptorumDunn;microstructure;LMD;UPLC-Q/TOF–MS;HPLC–DAD
研究领域:
药用植物学
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代谢组学
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中药化学
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PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2022
·
IF 16.744
Zifang Peng,Wenfen Zhang,Dan Yin,Xu Zhang,Shuo Liu,Wuduo Zhao,Jian Mao,Yanhao Zhang,Jianping Xie
A novel magnetic single-layer nano-MXene (SNM@Fe 3 O 4 ) was prepared for the first time with small size, high surface area, abundant active sites and excellent energy absorption/transfer capability. The combined experimental and theoretical investigation revealed SNM@Fe 3 O 4 could be served as a highly effective adsorbent for enrichment and a new surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) matrix for rapid analysis of p -Phenylenediamine (PPD) antioxidants, a kind of emerging environmental contaminants, in actual water samples from North and South China. The SNM@Fe 3 O 4 -based SALDI-TOF-MS approach featured free matrix interference, acceptable linearity (R 2 ≥ 0.97), high sensitivity (LOD at ng mL −1 level) and qualified precision (RSD ≤ 8.46 %) for the four PPDs’ detection. The corresponding determined pollution levels also revealed the widespread occurrence of PPDs in Chinese water system. Compared to previous works, SNM@Fe 3 O 4 -based method achieved reproducible and more rapid analysis of PPDs in water, demonstrating a considerable potential of our self-synthesized nanomaterial for sensitive analysis of low-concentration organic small-molecule compounds in complicated sample matrix.
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高影响因子
APPLIED SURFACE SCIENCE
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2022
·
IF 7.392
Shuiping Tang,Xiaohuan Qin,Yuanxia Lv,Kun Hu,Shulin Zhao
In this work, according to the structure of three perfluoroalkyl sulfonates (PFASs) (perfluorobutylenesulfonic acid (PFBS), perfluorohexanesulfonic acid (PFHxS), and perfluorooctylsulfonic acid (PFOS)) and the property of a medium, we synthesized good-compatibility and stable cationic covalent-organic frameworks (C-COFs). They were used as adsorbents to absorb and detect analytes with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). The structures of the C-COFs were characterized. Enrichment parameters, including adsorbent amount, enrichment time, pH, and type and volume of dispersion solution, were optimized to achieve the best enrichment efficiency. After the enrichment, the loaded C-COFs were directly analyzed by MALDI-TOF MS. The results indicated that the C-COFs had a high surface area (1105 m 2 /g) and microporous structure (1.1 nm); they are rapid and highly efficient for tested PFASs adsorption. The equilibrium adsorption capacity of the C-COFs for PFBS was 334.46 mg g −1 . Further, the detection limit for PFBS, PFHxS, and PFOS was 0.001, 0.01, and 0.3 ng mL −1 , respectively. Moreover, adsorption and ionization mechanism was discussed. Owing to high selectivity and sensitivity, high adsorption performance, good reproducibility, and satisfactory recoveries, the method was successfully applied to detect PFASs in a real sample.
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高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2023
·
IF 6
Li Wan,Hong Wang,Xinyuan Mo,Yueping Wang,Lianping Song,Liangyan Liu,Wenjuan Liang
Primary processing treatments are crucial to the flavor profile of coffee beans, which create the flavor precursors basis in coffee husks and diffuse into the beans, with satisfying outcomes. In this study, eleven coffee husks of Coffea arabica with different primary processing treatments (sun exposure, washing and honey treatment) from three latitudes of Yunnan were investigated by the combination of HS-SPME-GC-MS and PTR-TOF-MS. A total of 114 volatile organic compounds (VOCs) and 77 masses were identified. The characteristic compounds octanoic acid ( S1 ) and methyl linoleate ( S11 ) in sun-exposed, phenethyl alcohol ( F4 ), methyl salicylate ( F7 ), 3,5-dimethylbenzaldehyde ( F9 ) and phytone ( T9 ) in washed and n -hexadecanoic acid ( S9 ) of honey-treated husks were recognized by the ions at m/z 33.032, m/z 68.049, m/z 83.049, m/z 67.054, m/z 57.034, m/z 41.030 and m/z 49.010, respectively. This study demonstrated the feasibility and complementarity of HS-SPME-GC-MS and PTR-TOF-MS in the rapid identification of VOCs in coffee husks. Meanwhile, the antioxidant capacities of the 11 husks were evaluated in vitro , and the sun-exposed samples exhibited most promising potency, in which methyl salicylate ( F7 ), methyl linoleate ( S11 ), methyl linolenate ( S13 ), ethyl linoleate ( S14 ), ethyl linolenate ( S16 ), linalool ( T1 ), citronellol ( T2 ) and caffeine ( J3 ) contributed mainly to the antioxidant capacities.
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高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Yuhan Cheng,Yuting Wang,Tongji Yuan,Jianhua Xie,Qiang Yu,Yi Chen
This research aims to evaluate the phenolic composition, antioxidant and enzyme inhibition activities of fermented Rubus chingii Hu wine, and explore the correlation between them. TPC (Total Phenolic content) and TFC (Total Flavonoid content) increased rapidly from 0 h to 72 h, followed by a slight decrease in TPC and a significant decrease in TFC. Fermentation could significantly increase the antioxidant activity and α-amylase/α-glucosidase enzyme inhibitory activity of Rubus chingii Hu . A total of 39 polyphenols and organic acids in fermented Rubus chingii Hu were identified by UPLC-ESI-Q-TOF-MS/MS and 11 of them were quantitatively analyzed. After fermentation, the contents of all the detected polyphenol compounds, except for quercetin and ellagic acid, significantly increased (p < 0.05). Correlation analysis showed that protocatechuic acid and catechin played an important role in the antioxidant activity of fermented Rubus chingii Hu , while protocatechuic acid and hypericin played an important role in the α-amylase inhibition activity. This study indicated that Rubus chingii Hu could be applided as a potential meterial for the wine production, and has the potential to be a functional food for promoting health.
研究领域:
食品科学
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药理学
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生物化学
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DOI
PubMed
高影响因子
FITOTERAPIA
·
2025
·
IF 2.6
Wenjing Ren,Yue Zhou,Jiahui Zhao,Xiutong Ge,Shiru Jiang,Yang Chen,Gui Xu,Shuo Zhang,Li Li,Ji Shi,Fan Zhang
Songaria Cynomorium Herb (SCH), a traditional Chinese medicinal herb, is recognized for its dual role as both a dietary supplement and a therapeutic agent. It is traditionally reputed to have kidney-tonifying and Yang-strengthening effects, which have made it a common ingredient in nutritious food supplements and health products. This study investigates the underlying mechanisms by which wine-steamed SCH, enhances kidney aphrodisiac qualities, focusing on the tyrosine kinase/signal transduction and transcriptional activation factor (JAK/STAT) signaling pathway. Ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) was employed to qualitatively analyze the chemical constituents of SCH both before and after the wine-steaming process, and the significant differential components were screened out. A kidney-Yang deficiency model was induced by intragastric administration of hydrocortisone. Subsequently, the rats were treated with either raw SCH (RSCH) or wine-steamed SCH (WSCH) medicinal solutions. Urine output, organ indices, target gland axis-related indices, and renal tissue lesions were recorded and statistically compared between the treatment and control groups. RT-qPCR and Western blot analysis were utilized to assess the mRNA and protein expression levels of the JAK/STAT pathway and HIF-1α in the renal tissues of the animals. The results indicated that the chemical composition of the SCH underwent changes before and after the steaming process. The tonifying effects observed were more pronounced with WSCH than with RSCH, suggesting that the mechanism involves the inhibition of the JAK/STAT pathway and the downregulation of HIF-1α expression.
研究领域:
中药学
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分子生物学
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药理学
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DOI
PubMed
高影响因子
BMC Complementary Medicine and Therapies
·
2023
·Vol. 23
·期 1
·1-17
·
IF 3.9
Chen Tong,Hu Jingbo,Wang Huan,Tan Nana,Qi Jianzhao,Wang Xiaoling,Wang Le
Background Artemisiae Scopariae Herba (ASH) has been widely used as plant medicine in East Asia with remarkable antitumor activity. However, the underlying mechanisms have not been fully elucidated.
Methods This study aimed to construct a multi-disciplinary approach to screen topoisomerase I (topo I) inhibitors from ASH extract, and explore the antitumor mechanisms. Bioaffinity ultrafiltration-UFLC-ESI-Q/TOF-MS/MS was used to identify chemical constitution of ASH extract as well as the topo I inhibitors, and in silico docking coupled with multiple complex networks was applied to interpret the molecular mechanisms.
Results Crude ASH extract exhibited toxicogenetic and antiproliferative activities on A549 cells. A series of 34 ingredients were identified from the extract, and 6 compounds were screened as potential topo I inhibitors. Docking results showed that the formation of hydrogen bond and π-π stacking contributed most to their binding with topo I. Interrelationships among the 6 compounds, related targets and pathways were analyzed by multiple complex networks model. These networks displayed power-law degree distribution and small-world property. Statistical analysis indicated that isorhamnetin and quercetin were main active ingredients, and that chemical carcinogenesis-reactive oxygen species was the critical pathway. Electrophoretic results showed a therapeutic effect of ASH extract on the conversion of supercoiled DNA to relaxed forms, as well as potential synergistic effect of isorhamnetin and quercetin. Conclusions The results improved current understanding of Artemisiae Scopariae Herba on the treatment of tumor. Moreover, the combination of multi-disciplinary methods provided a new strategy for the study of bioactive constituents in medicinal plants.
研究领域:
中药学
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生物信息学
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药理学
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）