Frontiers in Pharmacology
·
2021
·
IF 5.811
Lan Zhenwei,Zhang Ying,Sun Yue,Wang Lvhong,Huang Yuting,Cao Hui,Wang Shumei,Meng Jiang
Recent studies concerning products that originate from natural plants have sought to clarify active ingredients, which both explains the mechanisms of the function and aids in quality control during production. As a traditional functional plant, Curcumae Rhizoma (CR) has been proven to be effective in promoting blood circulation and removing blood stasis. However, the components that play a role in its huge compound library are still unclear. The present study aimed to develop a high-throughput screening method to identify thrombin inhibitors in CR and validate them by in vitro and in vivo experiments. The effect of CR on thrombin in HUVECs cells was determined by ELISA, then an affinity-ultrafiltration-UPLC-Q-Exactive Orbitrap/MS approach was applied. Agatroban and adenosine were used as positive and negative drugs respectively to verify the reliability of the established method. The in vitro activity of the compounds was determined by specific substrate S-2238. The in vivo effect of the active ingredients was determined using zebrafish. Molecular docking was used to understand the internal interactions between compounds and enzymes. ELISA results showed that CR had an inhibitory effect on thrombin. The screening method established in this paper is reliable, by which a total of 15 active compounds were successfully identified. This study is the first to report that C7, 8, and 11 have in vitro thrombin-inhibitory activity and significantly inhibit thrombosis in zebrafish models at a safe dose. Molecular docking studies were employed to analyze the possible active binding sites, with the results suggesting that compound 16 is likely a better thrombin inhibitor compared with the other compounds. Based on the affinity-ultrafiltration-UPLC-Q-Exactive Orbitrap/MS approach, a precisely targeted therapy method using bio-active compounds from CR might be successfully established, which also provides a valuable reference for targeted therapy, mechanism exploration, and the quality control of traditional herbal medicine.
研究领域:
药理学
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生物化学
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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
Frontiers in Molecular Biosciences
·
2021
·
IF 5.246
Zhou Peipei,Zhou Lin,Shi Yingying,Li Zhuolun,Liu Liwei,Zuo Lihua,Zhang Jun,Liang Shuhong,Kang Jian,Du Shuzhang,Yang Jing,Sun Zhi,Zhang Xiaojian
The incidence of cerebral ischemic stroke characterized by high mortality is increasing every year. Danshen Chuanxiongqin Injection (DSCXQ), a traditional Chinese medicine (TCM) preparation, is often applied to treat cerebral apoplexy and its related sequelae. However, there is a lack of systematic research on how DSCXQ mediates its protective effects against cerebral ischemia stroke. Metabolomic analysis based on UHPLC-Q-Orbitrap HRMS was employed to explore the potential mechanisms of DSCXQ on ischemic stroke induced by transient middle cerebral artery occlusion (MCAO). Pattern analysis and metabolomic profiling, combined by multivariate analysis disclosed that 55 differential metabolites were identified between Sham group and Model group, involving sphingolipid metabolism, glycerophospholipid metabolism, phenylalanine, tyrosine and tryptophan biosynthesis, primary bile acid biosynthesis, pantothenate and CoA synthesis and valine, leucine and isoleucine biosynthesis pathways. DSCXQ could reverse brain metabolic deviations in stroke by significantly upregulating the levels of L-tryptophan, Lyso (18:0/0:0), LPC (18:2), Indole-3-methyl acetate, and downregulating the levels of sphinganine 1-phosphate, L-threonic acid, glutaconic acid and N6,N6,N6-Trimethyl-L-lysine. In our study, we focused on the neuroprotective effects of DSCXQ against neuroinflammatory responses and neuronal apoptosis on a stroke model based on sphingolipid metabolism. The expressions of Sphk1, S1PR1, CD62P, Bcl-2, Bax, and cleaved Caspase-3 in brain tissue were evaluated. The neurological deficit, cerebral infarct size and behavioral abnormality were estimated. Results showed that DSCXQ intervention significantly reduced cerebral infarct size, ameliorated behavioral abnormality, inhibited the expression of Sphk1, S1PR1, CD62P, Bax, Cleaved Caspase-3, while increased the level of Bcl-2, and prevented neuronal apoptosis. The limitations are that our study mainly focused on the verification of sphingolipid metabolism pathway in stroke, and while other metabolic pathways left unverified. Our study indicates that SphK1-SIP axis may potentiate neuroinflammatory responses and mediate brain damage through neuronal apoptosis, and DSCXQ could suppress the activity of SphK1-SIP axis to protect brain tissue in cerebral ischemia. In conclusion, this study facilitates our understanding of metabolic changes in ischemia stroke and the underlying mechanisms related to the clinical application of DSCXQ.
研究领域:
药理学
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神经科学
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代谢组学
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中医药
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产品关联
DOI
PubMed
高影响因子
Food & Function
·
2021
·Vol. 12
·期 19
·8899-8906
·
IF 5.396
Qing Zheng,Yaru Hu,Ayuan Xiong,Ying Su,Zihao Wang,Kun Zhao,Yougui Yu
Elucidating the organometallic interactions in Baijiu will promote a deeper understanding of the flavour formation mechanism during Baijiu aging. However, the organometallic interactions during aging are difficult to explore because the concentration and status of metals in Baijiu samples are affected by other substances (such as organic acids), and the concentrations of these substances also change dynamically. Hence, the flavour formation mechanism of aged Baijiu was investigated based on a multi-method analysis (i.e. electrochemistry, ICP-MS/OES, and UPLC-Q-Orbitrap-MS/MS), which enabled us to solve the difficulty above. The key finding is that, in the aging period, the organic acids induce the transformation of the metal ion state from the complex state to the free state. As a result, the flavour compound (i.e. the esters) contents in aged Baijiu are regulated by the free metal ion-catalyzed reactions.
研究领域:
食品科学
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分析化学
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金属有机化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2020
·
IF 4.006
Xu-mei Wang,Yun-hua Ye,Zong-cai Tu,Yue-ming Hu,Hui Wang,Cheng-yan He
This study aimed to investigate the mechanism underlying the influence of mild glycation on the digestibility and anaphylactic effect of β-lactoglobulin (βLG) and its digests through LC Orbitrap MS/MS. Three glycated sites were discovered after glycation with fructose, whereas only lysine47 (K47) was glycated with maltose . After digestion, the intrinsic fluorescence intensity decreased and red shifted, and the degree of hydrolysis (DH) values showed no significant difference among digests. βLG glycated with Fru showed the lowest IgG and IgE-binding abilities. Meanwhile, the IgG and IgE-binding abilities further decreased and showed no apparent difference among digests. These results were attributed to the proximity to the IgG-binding epitope, the high glycation degree of K47, and mild glycation. Therefore, mild glycation could reduce the anaphylaxis of proteins before digestion, but did not influence the anaphylactic effect of the digests.
研究领域:
食品科学
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免疫学
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蛋白质组学
✓ 已验证
产品关联
DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2024
·
IF 6
Ying Dong,Heng Wang,Guodong Li,Chuyang Wang,Liqiao Han,Zemin Wan,Jun Yan,Qiaoxuan Zhang,Min Zhan,Peifeng Ke,Haibiao Lin,Xinzhong Wu,Xianzhang Huang,Pengwei Zhang
Infant formula is prone to the Maillard reaction, forming early-stage Amadori products and advanced glycation end products (AGEs). Despite extensive research on protein-bound Amadori products and AGEs, studies on protein-unbound Amadori products in infant formula are limited. This study, for the first time, reveals that Amadori products derived from mono and oligohexose exhibit distinct MS/MS neutral loss patterns. Using these characteristics, a combined targeted and untargeted strategy for rapid and comprehensive analysis of mono- and oligohexose derived Amadori products was developed. A total of 40 protein-unbound Amadori products were identified, resulting from reactions between glucose, lactose, galactose, and 17 amino acids along with 3 other amino compounds. Novel Amadori products like fructosyl-O-phosphorylethanolamine/glycerophosphorylethanolamine and lactulosyl-O-phosphorylethanolamine/glycerophosphorylethanolamine were identified. Further comparative analysis of free Amadori product contents in 5 standard infant formula samples revealed significant variations. However, the levels of Amadori products and their corresponding precursor compounds showed no significant correlation. These findings offer valuable insights into the complexity and diversity of Amadori products in infant formulas. Moreover, the identified Amadori products show promise as potential markers for differentiating infant formulas from different manufacturers.
研究领域:
食品科学
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分析化学
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营养学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
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2021
·
IF 7.514
Qing Zheng,Zihao Wang,Ayuan Xiong,Yaru Hu,Ying Su,Kun Zhao,Yougui Yu
The oxygen-based oxidation process is leading toward the understanding of the flavour formation mechanism of aged Baijiu. However, the oxygen-based oxidation process in Baijiu aging is difficult to explore because of (1) the composition of Baijiu produced in different batches varies a lot and (2) the spontaneous oxidation needs several years or even decades to occur. Hence, the flavour formation mechanism of Baijiu aging was investigated using electrochemistry and UPLC-Q-Orbitrap-MS/MS, which enabled us to solve the two difficulties above. The oxidation reaction on gold surface could accelerate Baijiu aging by catalyzing the transformation from alcohols to acids. Although natural aging contributed more diverse compound changes to Baijiu, the oxygen-based oxidation process during natural aging was similar to that in the electrochemical oxidation as a whole. This study provides new insights to flavour formation mechanism of aged liquors and provides a new way for liquor-related enterprises to optimise the aging process.
研究领域:
食品科学
·
化学
·
分析化学
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电化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2025
·
IF 2.5
Yanru Liu,Ya Hu,Xiaoxia Xie,Gongjun Yang,Fang Feng
Wen-Pi-Tang (WPT), a Traditional Chinese Medicine (TCM) prescription, is commonly used to treat chronic renal failure. However, the material basis and potential mechanisms of WPT against chronic renal failure have not been clarified. UHPLC-Q-Exactive Orbitrap-MS was utilized in this work to investigate the chemical components of WPT and their prototypes or metabolites in vivo. 227 chemical compounds were identified in the WPT. Meanwhile, 56 exogenous components (24 prototype components and 32 metabolic components) were examined in rat plasma. Meanwhile, network pharmacology revealed that liquiritigenin-O-sulfate, 3-keto-18β-glycyrrhetinic acid, 22-hydroxy-18-β-glycyrrhetinic acid, and hydroxyliquiritigenin (B ring)-O-sulfate with related targets AKT1, EGFR, STAT3, ESR1, SRC, MAPK3, MTOR, and PIK3CA were considered as the effective components and core targets. Furthermore, the findings suggested that the therapeutic effects of WPT on chronic renal failure may be substantially influenced by the PI3K-Akt, HIF-1, and FoxO signaling pathways. The outcomes of molecular docking and molecular dynamics simulations indicate that the key targets have strong binding capacities with effective components. Our study offers a comprehensive method for examining the molecular foundation and underlying mechanisms of WPT against chronic renal failure, opening up new therapeutic opportunities.
研究领域:
中药学
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药理学
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代谢组学
✓ 已验证
产品关联
DOI
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 11
·3593
·
IF 4.927
Meng Wei,Xiaochang Liu,Peng Xie,Yuanhua Lei,Haojie Yu,Aiyun Han,Libin Xie,Hongliang Jia,Shaohua Lin,Yueyu Bai,Baozhong Sun,Songshan Zhang
This study focused on characterizing the volatile profiles and contributing compounds in pan-fried steaks from different Chinese yellow cattle breeds. The volatile organic compounds (VOCs) of six Chinese yellow cattle breeds (bohai, jiaxian, yiling, wenshan, xinjiang, and pingliang) were analyzed by GC-Q-Orbitrap spectrometry and electronic nose (E-nose). Multivariate statistical analysis was performed to identify the differences in VOCs profiles among breeds. The relationship between odor-active volatiles and sensory evaluation was analyzed by partial least square regression (PLSR) to identify contributing volatiles in pan-fried steaks of Chinese yellow cattle. The results showed that samples were divided into two groups, and 18 VOCs were selected as potential markers for the differentiation of the two groups by GC-Q-Orbitrap combined multivariate statistical analysis. YL and WS were in one group comprising mainly aliphatic compounds, while the rest were in the other group with more cyclic compounds. Steaks from different breeds were better differentiated by GC-Q-Orbitrap in combination with chemometrics than by E-nose. Six highly predictive compounds were selected, including 3-methyl-butanal, benzeneacetaldehyde, 2-ethyl-6-methyl-pyrazine, 2-acetylpyrrole, 2-acetylthiazole, and 2-acetyl-2-thiazoline. Sensory recombination difference and preference testing revealed that the addition of highly predictive compounds induced a perceptible difference to panelists. This study provides valuable data to characterize and discriminate the flavor profiles in pan-fried steaks of Chinese yellow cattle.Keywords:Chinese yellow cattle;volatile organic compounds;GC-Q-Orbitrap;E-nose;sensory evaluation;multivariate statistical analysis
研究领域:
食品科学
·
动物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Analytical Methods in Chemistry
·
2021
·
IF 2.193
Gen Xue,Meijuan Zhu,Ning Meng,Jianli Guan,Jide Zhang,Jing Yang,Yuefei Wang,Ying Cui,Xin Chai
As a clinically effective traditional Chinese medicine injection (TCMI), Shuanghuanglian injection (SHLI) is widely used in the treatment of upper respiratory tract infection and pneumonia. However, the shortage of quality analysis is a limitation that remains to be improved in the clinical application of SHLI. In this study, taking advantage of ultra-high-performance liquid chromatography tandem Q-Exactive Orbitrap high-resolution mass spectrometry (UHPLC/Q-Orbitrap-MS), 31 chemical components (eight organic acids, eleven flavonoids, five iridoid glycosides, four phenylethanoid glycosides, and three lignans) in SHLI were characterized, among which 22 components were unambiguously identified by reference compounds. The brief prediction results of network pharmacology indicated that the 22 targeted components may have anti-inflammatory, antibacterial, antiviral, and immunomodulatory activities. Using multiwavelength switching method, the 22 targeted components were quantified by ultra-performance liquid chromatography with photodiode array detector (UPLC-PDA) after the methodological validation. Based on the successfully established method, the total content of 22 components in 20 batches of SHLIs was efficiently determined with a slight variation between 10.25 and 11.28 mg/mL, which accounted for 38.7% in total solid of SHLI. This study performed a reliable chemical identification and provided a rapid and effective method for quality analysis, which contributed to the in-depth investigation and application of SHLI.
研究领域:
药学
·
分析化学
·
中医药
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOORGANIC CHEMISTRY
·
2024
·
IF 4.5
Zhenwei Lan,Rui Yang,Hu Wang,Xingyang Xue,Yue Sun,Shumei Wang,Ying Zhang,Jiang Meng
Turmeric ( Curcuma longa ), a typical source with recognized anti-inflammatory activity, is one such medicine-food homology source, yet its anti-inflammatory mechanisms and specific component combinations remain unclear. In this study, a net fishing method combining bio-affinity ultrafiltration and ultra-high performance liquid chromatography-mass spectrometry (AUF-LC/MS) was employed and 13 potential COX-2 inhibitors were screened out from C. longa . 5 of them (C1, 17, 20, 22, 25) were accurately isolated and identified. Initially, their IC 50 values were measured (IC 50 of C1, 17, 20, 22 and 25 is 55.08, 48.26, 29.13, 111.28 and 150.48 μM, respectively), and their downregulation of COX-2 under safe concentrations (400, 40, 120, 50 and 400 μM for C1, 17, 20, 22 and 25, respectively) was confirmed on RAW 264.7 cells. Further, in transgenic zebrafish ( Danio rerio ), significant anti-inflammatory activity at safe concentrations (15, 3, 1.5, 1.5 and 3 μg/mL for C1, 17, 20, 22 and 25, respectively) were observed in a dose-dependent manner. More importantly, molecular docking analysis further revealed the mode of interaction between them and the key active site residues of COX-2. This study screened out and verified unreported COX-2 ligands, potentially accelerating the discovery of new bioactive compounds in other functional foods.
研究领域:
药理学
·
分析化学
·
分子生物学
·
炎症研究
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2018
·
IF 4.946
Yang Chen,Zong-cai Tu,Hui Wang,Guang-xian Liu,Zi-wei Liao,Lu Zhang
In general, the reducing sugars were extensively utilized as additives to prevent denaturation and inactivation during the freeze-drying process. However, different additives have unequal protective effects on the protein conformation. To evaluate the mechanism of protection the protein structure using different additives in the freeze-drying process, the glycated sites and degree of substitution per peptide (DSP) of each site were investigated by LC-Orbitrap MS. We found that the ovalbumin that was supplemented with ribose and then lyophilized (R-oval) have the highest extent of glycation modification. K227 was the most reactive glycated site in R-Oval, with a DSP of 0.83. The ovalbumin that was supplemented with lactose and then lyophilized (L-Oval) have the lowest degree of glycation, and K227 did not undergo the glycation reaction. It was hypothesized that the order impact of different additives on protection of the protein conformation were lactose > galactose > ribose during the freeze-drying process.
研究领域:
分析化学
·
蛋白质化学
·
药学
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH
·
2024
·
IF 1.3
Cai-Yun Tian,Qing-Rui Yang,Ling-Xuan Fan,Yu-Mei Yang,Bo-Wen Gao,Jian-Bo Yang
Zhachong-13 pills (ZC-13), as a traditional prescription of Mongolian medicine, are often used in the clinical practice of Mongolian hospitals for the treatment of stroke and rheumatic arthritis. In this experiment, UHPLC-Q-Exactive Orbitrap MS was used to explore the chemical composition of ZC-13. The results showed that 315 compounds were identified or inferred, including 56 alkaloids, 77 2-(2-phenylethyl)chromones, 61 flavonoids, 31 tannins, 8 coumarins, 16 lignans, 21 terpenoids, 5 amino acids, 19 organic acids, and 21 other components. In addition, the pharmacological activities related to anti-cerebral ischemia of these components were summarized. This result laid a foundation for further study on the pharmacodynamic material basis of ZC-13 and provided a scientific basis for the formulation of ZC-13 quality specifications.
研究领域:
药理学
·
分析化学
·
传统医学
·
药物化学
✓ 已验证
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）