Frontiers in Plant Science
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2022
·
IF 6.627
Zhu Lian,Ma Sheng-jun,Liu Ming-juan,Li Kai-lin,E Shuai,Wang Zi-ming,Li Sha-ni,Zhang Sheng-lan,Cai Wei
Arnebiae Radix (dried root of Arnebia euchroma (Royle) Johnst.) is a traditional Chinese medicine (TCM) used to treat macular eruptions, measles, sore throat, carbuncles, burns, skin ulcers, and inflammations. The Arnebiae Radix extract can exert anti-breast cancer effects through various mechanisms of action. This study aimed to rapidly screen potential estrogen receptor (estrogen receptor α and estrogen receptor β) ligands from the Arnebiae Radix extract. In this study, an analytical method based on affinity ultrafiltration coupled with UHPLC-Q-Exactive Orbitrap mass spectrometry was established for rapidly screening and identifying estrogen receptor ligands. Then, bindings of the components to the active site of estrogen receptor (estrogen receptor α and estrogen receptor β) were investigated via molecular docking. Moreover, surface plasmon resonance (SPR) experiments with six compounds were performed to verify the affinity. As a result, a total of 21 ligands were screened from Arnebiae Radix using affinity ultrafiltration. Among them, 14 and 10 compounds from Arnebiae Radix showed affinity with estrogen receptor α and estrogen receptor β, respectively. All of those ligands could have a good affinity for the multiple amino acid residues of the estrogen receptor based on molecular docking. In addition, six compounds display the great affinity by SPR. The method established in the study could be used to rapidly screen estrogen receptor ligands in Traditional Chinese medicine. The results demonstrated that the affinity ultrafiltration–UHPLC-Q-Exactive Orbitrap mass spectrometry method not only aids in the interpretation of the potential bioactive components and possible mechanisms of action of Arnebiae Radix but also provides a further effective basis for the quality control of this valuable herb medicine.
研究领域:
中药学
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生物化学
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药物化学
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DOI
PubMed
高影响因子
XENOBIOTICA
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2025
·
IF 1.2
Lianghong Liu,Kailin Li,Mingjuan Liu,Lian Zhu,Zichao Shang,Wei Cai
Duhaldea nervosa (Wallich ex Candolle) A. Anderberg (Asteraceae) (D. nervosa), has been used as a folk medicine for the treatment of diseases including bone fractures and bone wounds. However, the metabolic profiling of D. nervosa and mechanism of action for treating fracture are unknown.In this study, an integrated analysis method based on UHPLC-Q-Exactive Orbitrap MS and network pharmacology was established to research the metabolic characteristic of D. nervosa. Serum in the blank group and drug group were collected after intragastric administration of D. nervosa. The serum samples were analysed using UHPLC-MS. In addition, network pharmacology and cell proliferation assays were used to analysis the mechanism of fracture healing of D. nervosa.A total of 62 constituents, including 24 prototype compounds and 38 metabolites were identified in rat serum. The result of network pharmacology revealed that the fracture healing effect of 23 metabolites was probably acting through 65 genes targets. Serum samples promoted osteoblast proliferation in a concentration-dependent manner in mouse osteoblast cell line (MC3T3-E1 cells).To our best knowledge, it is the first time to report the constituents in vivo of D. nervosa. This work provided a general method for understanding the bioactive compounds of D. nervosa.
研究领域:
生药学
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分析化学
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药理学
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民族药理学
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细胞生物学
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PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2021
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IF 3.205
Xuechen Liu,Jingchen Wang,Bingying Hu,Pan Yan,Shuailong Jia,Zhifeng Du,Hongliang Jiang
Sphingolipids (SLs) are endogenously bioactive molecules with diverse structures, and its metabolic disorders are involved in the progression of many diseases. In this study, an ultra-performance liquid chromatography quadrupole exactive mass spectrometry (UPLC-Q-Exactive-MS) method was established to comprehensively profile SLs in plasma. First, the fragment patterns of SL standards of each subclass were investigated. Then, the SL species in plasma were characterized based on the fragmentation rules. Finally, a total of 144 endogenous SL species consisting of 216 regioisomers were identified in plasma of human, golden hamster and C57BL/6 mice, which was the most comprehensive identification for SLs in plasma. In addition to the known species, 19 SL species that have never been reported were also identified. The profile of SLs in plasma of human and two rodent species was compared subsequently. It was worth noting that a total of 9 SL molecular species consisting of 11 regioisomers with low abundance were successfully identified in human plasma through comparison among species. Those findings contribute to a deeper understanding of SLs in human plasma and provide scientific basis for the selection of animal model. The established profile of SLs in plasma could be used for screening of lipid biomarkers of various diseases.
研究领域:
生物化学
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医学
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分析化学
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DOI
PubMed
高影响因子
Current Analytical Chemistry
·
2021
·Vol. 17
·期 4
·521-527
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IF 1.892
Liu Liang-Hong,Peng Jie,Shi Si-lin,Li Kai-Lin,Xiong Pei,Cai Wei
Background: Lithocarpus litseifolius (Hance) Chun (L. litseifolius) has been used for treating diabetes, allergic and inflammatory diseases, and hyperlipidemia in folk medicine. Previous studies have shown that the main active ingredients of its leaves are flavonoids. However, to the
best of our knowledge, the stem of L. litseifolius has not been investigated for its constituents yet. The stems of the decaying plants fall every year. It is considered as a waste due to limited knowledge of the benefits of these stems, which is a sheer waste of the plant resource. Therefore,
it is necessary to investigate the chemical constituents of the stem, which will be beneficial for the treatment of many diseases and help utilize the stem in a better way instead of wasting the plant resource. Methods: In this study, the dry twigs of L. litseifolius were collected, powdered,
and extracted. Then, the extracted sample was subjected to UHPLC-Q-Exactive Orbitrap MS in negative mode combined with Parallel reaction monitoring scanning to gain the high-resolution mass spectrum, which was processed by the Compound Discover version 3.0 using high resolution extracted ion
chromatography to predict the constituent compounds. Results: A total of 35 flavonoids including flavone, flavonol, dihydroflavone, isoflavone, and dihydrochalcone were putatively identified based on their accurate mass measurement, chromatographic retention, MSn spectra, and bibliography
data. Conclusion: In this study, a total of 35 flavonoids were identified in the stem of L. litseifolius, among which 5 flavonoids were the first to be reported from this plant, which will be very helpful for the development of medicines for the treatment of many diseases and utilization
of the stem of L. litseifolius.
研究领域:
植物化学
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药学
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天然产物研究
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DOI
高影响因子
JOURNAL OF PHARMACY AND PHARMACOLOGY
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2025
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IF 3.2
Zhou Dan,He Kai,Cai Wei,Li Bin,Zhang Zaiqi
ObjectiveTo identify the anti-inflammatory ingredients of a typical Dong herbal medicine Jiao Mei Gu (JMG) (Cayratia albifolia C.L.Li) and reveal the underlying mechanisms.MethodsFor the first time, the chemical constituents in JMG ethyl acetate extract, which showed the highest anti-inflammatory activity, were analyzed by Ultra-performance liquid chromatography-quadrupole-electrostatic field Orbitrap mass spectrometry (UHPLC-Q-Exactive orbitrap MS). The anti-inflammatory activities and the underlying mechanisms of JMG extracts were evaluated in the lipopolysaccharide (LPS)-induced RAW 264.7 cell model and LPS (10 mg/kg) induced acute lung injury model in BALB/c mice.Key findingsOverall, 65 compounds including lignans, apigenin, quercetin, chrysin, phlorizin, and eriodictyol, etc., were identified in JMG ethyl acetate extract. At 200 mg/kg, JMG ethyl acetate extract reversed the structure change of lung alveoli and inflammatory cell infiltration in LPS-induced acute lung injury model. Compared with the LPS group, the serum levels of IL-1β, IL-6, and TNF-α in the 200 mg/kg JMG-treated group were decreased by 58.6%, 56.5%, and 87.6%, respectively. Western blot results revealed that JMG ethyl acetate extract inhibited LPS stimulated p65 and IκBα phosphorylation in mouse lung.ConclusionThe present study demonstrated that the ethyl acetate fraction of JMG could reverse LPS-induced acute lung hemorrhagic necrosis and inflammatory cell infiltration in mice by preventing the phosphorylation of NF-κB p65 and reducing its nuclear translocation.
研究领域:
生药学
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民族药理学
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分析化学
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炎症研究
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肺部医学
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质谱分析
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产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 9
·2631
·
IF 4.927
Lian Zhu,Shengjun Ma,Kailin Li,Pei Xiong,Shihan Qin,Wei Cai
Arnebiae Radix(dried root ofArnebia euchroma(Royle) Johnst.) has been used in traditional Chinese medicine (TCM) to treat macular eruptions, measles, sore throat, carbuncles, burns, skin ulcers, and inflammation. Previous studies have shown that shikonins and shikonofurans are two of their main bioactive ingredients. However, systematic investigations of their constituents have rarely been conducted. It is necessary to establish a rapid and effective method to identify the chemical constituents ofArnebiae Radix. This will help to further improve the effective resource utilization rate of this plant. In this study, a rapid and effective UHPLC-Q-Exactive Orbitrap mass spectrometry method was established to simultaneously analyze chemical ingredients inArnebiae Radixwithin a short period of time. Based on the results of a full scan MS, the MS2database (mzVault and mzCloud), the diagnostic fragment ions, the retention time, and the bibliography, a total of 188 compounds were identified, with 114 of those being reported fromArnebiae Radixfor the first time. The results of this study lay the foundation for obtaining a thorough understanding of the active ingredients inArnebiae Radixand its quality control. This method may be widely used for the chemical characterization of different samples.Keywords:Arnebiae Radix;identification;chemical constituents;UHPLC-Q-Exactive Orbitrap MS
研究领域:
中药学
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分析化学
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DOI
PubMed
高影响因子
Journal of Chemistry
·
2024
·Vol. 2024
·期 1
·6719888
·
IF 2.8
Shihan Qin,Xue Jiang,Shani Li,Qing Li,Jin Huang,Qingjiao He,Wei Cai
The dried root of Sophora davidii Kom. ex Pavol (Leguminosae, family) is a folk medicine and has long been used for the treatment of various diseases, including cough, hematochezia, sore throat, and dysentery. In this study, UHPLC-Q-Exactive Orbitrap mass spectrometry investigations were applied to obtain the profiling of the flavonoids in S. davidii . Finally, 108 compounds were identified, and 85 of them were firstly reported. Then, the in vitro antioxidant activity and tyrosinase activity of S. davidii were investigated using the DPPH radical scavenging ability, hydroxyl radical scavenging, and copper-reducing ability method and by measuring the rate of tyrosinase-catalyzed L-dopa oxidation. To our knowledge, this is the first study of S. davidii’s antioxidant activity, anti-tyrosinase activity, and systematic characterization of flavonoids. The current study will be of support for the usage of S. davidii in the future development of the pharmaceutical industry.
研究领域:
药学
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植物化学
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产品关联
DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2025
·
IF 6.6
Xichuang Guo,Keyun Cheng,Chenxin Wang,Jing Zheng,Yeshun Wu,Siwei Wang,Xixi Zeng,Zhujun Mao,Jinyan Gong,Gongshuai Song,Xi Chen,Qing Shen
Fritillaria Bulbus (FB) is a medicinal food homologous substance containing various alkaloids. However, the authenticity and quality control of FB have been regarded as the important and challenging factors in globalization and modernization. In this study, the spatial distributions of alkaloids from four FBs ( Fritillaria thunbergii Miq, FritiLlaria cirrhosa D. Don, Fritillaria ussuriensis Maxim, Fritillaria unibracteata var. wabuensis) were analyzed by a consolidation of UPLC-Q-Extractive Orbitrap MS/MS and direct desorption electrospray mass spectrometry imaging (DESI-MSI). Results showed that 58 reliable metabolites (mainly alkaloids) were identified preliminarily, and taxonomic models were built by chemometric analysis. The alkaloid contents in the bulb base were significantly higher than those in bulb and bulblet ( p < 0.05). Seven metabolites, hexadecanamide, imperialine, L-phenylalanine, jervine, peimine, L-pyroglutamic acid, and trans-3-indolacrylic acid, were screened and confirmed as key characteristic compounds of FB. The detailed spatial information provides a reliable means for rational evaluation of the quality control of FBs. It can better utilize the enriched portion of the alkaloids in FBs. It can provide reference value for the identification of adulteration and development of the medicinal food homologous substance.
研究领域:
药学
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分析化学
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产品关联
DOI
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2020
·
IF 4.972
Chen He,Zexin Sun,Xingchen Qu,Jun Cao,Xuanri Shen,Chuan Li
Round scad ( Decapterus maruadsi ) is rich in eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). However, there is no comprehensive information covering its lipidomic profile. In this study, lipid profiles including fatty acid composition, distribution and detailed structure information were explored using gas chromatography-flame ionization detector (GC-FID) and ultra-high-performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry (UPLC-Q-Exactive Orbitrap-MS). The results showed that triacylglycerol (TG) was the dominant class, and the EPA and DHA were concentrated as glycerophospholipid (GP). The saturated fatty acids and monounsaturated fatty acids were mainly esterified in positions 1 and 3 of TG and sn -1-position of GP, while the polyunsaturated fatty acids (PUFA) were mainly esterified in sn -2-position of TG and GP. A total of 1282 species from six classes (21 subclasses) including glycerolipids (GL), sphingolipids (SP), GP, fatty acyls (FA), saccharolipids (SL) and prenol lipids (PR) were identified. Several molecular species were characterized with PUFA, especially EPA and DHA in GP. Considering the superior fatty acids composition and distribution of round scad, it is deserved for further exploitation of its marine lipid source on account of the healthy and nutritional functions.
研究领域:
生物化学
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营养学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Nutrition
·
2023
·
IF 5
Xueli Ge,Zhenguo Su,Yuhao Wang,Xue Zhao,Kaifei Hou,Shuna Zheng,Pengjiao Zeng,Zhongqi Shi,Senhao Hu,Yuqing Wang,Mengchen Zhou,Jiayu Zhang,Xiulian Li
Introduction Polydatin is a biologically active compound found in mulberries, grapes, and Polygonum cuspidatum , and it has uric acid-lowering effects. However, its urate-lowering effects and the molecular mechanisms underlying its function require further study. Methods In this study, a hyperuricemic rat model was established to assess the effects of polydatin on uric acid levels. The body weight, serum biochemical indicators, and histopathological parameters of the rats were evaluated. A UHPLC-Q-Exactive Orbitrap mass spectrometry-based metabolomics approach was applied to explore the potential mechanisms of action after polydatin treatment. Results The results showed a trend of recovery in biochemical indicators after polydatin administration. In addition, polydatin could alleviate damage to the liver and kidneys. Untargeted metabolomics analysis revealed clear differences between hyperuricemic rats and the control group. Fourteen potential biomarkers were identified in the model group using principal component analysis and orthogonal partial least squares discriminant analysis. These differential metabolites are involved in amino acid, lipid, and energy metabolism. Of all the metabolites, the levels of L -phenylalanine, L -leucine, O -butanoylcarnitine, and dihydroxyacetone phosphate decreased, and the levels of L -tyrosine, sphinganine, and phytosphingosine significantly increased in hyperuricemic rats. After the administration of polydatin, the 14 differential metabolites could be inverted to varying degrees by regulating the perturbed metabolic pathway. Conclusion This study has the potential to enhance our understanding of the mechanisms of hyperuricemia and demonstrate that polydatin is a promising potential adjuvant for lowering uric acid levels and alleviating hyperuricemia-related diseases.
研究领域:
药理学
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代谢组学
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生物化学
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医学
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2022
·
IF 6.056
Jianshuang Zhang,Na Wang,Weiping Zhang,Wanxuan Chen,Hao Yu
Insect tea is a traditional health drink produced by the Miao, Dong and Yao ethnic minorities in southwest China. However, little information is available on the chemical differences of various insect teas. The present study aimed to comprehensively compare the chemical profiles of three typical insect teas (Hawk, Sanye and Huaxiang insect teas) using ultra-performance liquid chromatography coupled to Q Exactive hybrid quadrupole-Orbitrap mass spectrometry (UPLC-Q-Exactive-MS) based metabolomics approach and evaluate their antioxidant activities. Totally, 283 metabolites were tentatively identified. Multivariate analyses demonstrated that three types of insect teas significantly varied in metabolite distribution patterns, and 180 compounds were identified as potential biomarkers. Hawk samples were characterized by higher levels of flavonoids, whereas Huaxiang had higher contents of phenolic acids and amino acids. Moreover, Hawk also revealed the highest contents of total phenolics, and possessed the strongest 1,1-diphenyl-2-picrylhydrazyl free radical (DPPH ) scavenging activity and ferric reducing antioxidant power. The well positive correlations were found between the antioxidant properties with their contents of phenolic compounds. These results indicate that insect teas are rich in phenolic compounds and could be used as promising source of natural antioxidants.
研究领域:
食品科学
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分析化学
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药理学
·
营养学
✓ 已验证
DOI
高影响因子
Frontiers in Immunology
·
2024
·
IF 5.7
Qian Liping,Zeng Zehua
Introduction: The outbreak of SARS-CoV-2, leading to COVID-19, poses a major global health threat. While specific treatments and vaccines are under development, Traditional Chinese Medicine (TCM) has historically been effective against pandemics, including viral pneumonias. Our study explores the efficacy and mechanisms of Jinhua Qinggan Granules (JHQG) in treating COVID-19.Methods: We analyzed JHQG’s components using UHPLC-Q-Exactive-Orbitrap-MS, identifying 73 compounds. Network pharmacology and single-cell RNA sequencing (scRNA-seq) were used to assess JHQG’s effects on immune cells from peripheral blood mononuclear cells (PBMCs). Literature review supported the antiviral and anti-inflammatory effects of JHQG.Results: JHQG targets were found to interact with immune cells, including neutrophils, monocytes, plasmablasts, and effector T cells, reducing their overactivation in severe COVID-19. JHQG’s modulation of these cells’ activity likely contributes to reduced inflammation and improved clinical outcomes.Discussion: Our findings provide insights into JHQG's mechanism of action, highlighting its potential in controlling the inflammatory response in COVID-19 patients. The study supports the use of JHQG as a safe and effective treatment for COVID-19 and similar viral infections, leveraging its ability to modulate immune cell activity and reduce inflammation.
研究领域:
中药学
·
免疫学
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病毒学
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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）