Frontiers in Pharmacology
·
2020
·
IF 4.225
Li Ke,Cui Lian-Jie,Cao Yu-Xin,Li Shu-Ying,Shi Li-Xia,Qin Xue-Mei,Du Yu-Guang
Astragalus polysaccharides (APS) have a wide range of biological activities. Most researchers discuss total APS as the main research object. However, because the relative molecular weight of APS has a wide distribution, in-depth studies on the mechanisms of the biological activity of notable molecules are limited. For example, the relationship between the immunomodulatory effect of APS and its relative molecular weight has not been clearly defined. Therefore, in this paper, we separated and obtained APS of different molecular weights by ultrafiltration technology and then constructed a mouse cyclophosphamide-induced immunosuppression model to investigate the immune activity of APS of different molecular weights. The immune enhancement mechanism of APS was explored by examining changes in routine blood indicators, body weight, immune organs, and differential metabolites in mouse serum. Results showed that APS-I (molecular weight, >2,000 kDa), APS-II (molecular weight, 1.02 × 104 Da) and APS-III (molecular weight, 286 Da) could increase the number of immune cells in mouse serum and improve immune organ damage to varying degrees. Among the samples obtained, APS-II showed the best effects. Compared with those in the blank group, 29 metabolites determined by UHPLC Q-Exactive MS in the serum of the model group changed remarkably, and APS-I, APS-II, and APS-III respectively restored 13, 25, and 19 of these metabolites to normal levels. Metabolomics analysis revealed that APS-II is mainly responsible for the immunomodulatory activity of APS. Metabolomics analysis revealed that the mechanisms of this specific molecule may involve the regulation of phenylalanine metabolism, cysteine and methionine metabolism, tricarboxylic acid cycle (TCA cycle) and arginine and proline metabolism.
研究领域:
药理学
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免疫学
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代谢组学
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DOI
PubMed
高影响因子
Scientific Reports
·
2026
·
IF 3.9
Zou Yufeng,Xiao Shunli,Wang Jiayi,Chen Qiru,Shu Liangyin,Chen Yifan,Hu Dingli,Tan Yuhua,Yang Sixuan,Liu Lianghong,He Qingjiao,Liu LH.,He QJ.
Finger millet ( Eleusine coracana L., EC) is a nutritionally dense and medicinally valuable cereal crop with a long history of use in traditional health practices. Contemporary pharmacological studies have demonstrated that extracts from EC and its individual chemical constituents exhibit a wide range of health benefits and therapeutic properties. For instance, they possess antioxidant activity, can reduce blood glucose levels, and enhance gastrointestinal health. However, the full spectrum of their chemical constituents remains to be fully elucidated. In this study, we established a state-of-the-art analytical workflow integrating Ultra-High-Performance Liquid Chromatography coupled with Quadrupole-Orbitrap Mass Spectrometry (UHPLC-Q-Exactive Orbitrap MS) with Feature-Based Molecular Networking (FBMN) and Parallel Reaction Monitoring (PRM) for comprehensive chemical profiling of EC. A total of 126 compounds were unambiguously identified, including 64 flavonoids, 24 phenylpropanoids, 21 organic acids, and 22 other metabolites. Notably, 44 of these represent novel reports in EC, significantly expanding its known chemical repertoire. Further verification via Western Blot (WB) showed that the ethanol extract of EC (1 ~ 100 µg/mL) could concentration-dependently inhibit the overexpression of cyclooxygenase-2 (COX-2) and inducible nitric oxide synthase (iNOS) proteins in lipopolysaccharide (LPS)-induced RAW264.7 macrophages, which initially confirms its in vitro anti-inflammatory activity. The analytical method established in this study enables rapid and efficient identification of the major chemical constituents of EC, laying a foundation for its quality control, exploration of bioactive components, and mechanism research.
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PubMed
高影响因子
International Journal of Analytical Chemistry
·
2021
·
IF 1.885
Wei Cai,Kailin Li,Shihan Qin,Pei Xiong,Jie Peng,Silin Shi,Zaiqi Zhang
Potentilla freyniana Bornm. (P. freyniana), belonging to the family Rosaceae, has been used as a folk medicine in China. However, as we know, the constituents and the systematic elucidation of the mechanism were not fully investigated. Therefore, it is necessary to develop a rapid method using LC-MS and network pharmacology for the detection and identification of constituents and the systematic mechanism of P. freyniana. Firstly, the flavonoids were detected and identified based on ultra-high-performance liquid chromatography coupled with Quadrupole-Exactive Focus Orbitrap MS (UHPLC-Q-Exactive Orbitrap MS). After that, the potential targets of those constituents were obtained by database mining. Then, the core targets were predicted by protein-protein interaction network and network analysis. Finally, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were carried out via DAVID. This finding revealed that P. freyniana possessed 43 flavonoids (40 of them were first reported) with 23 core target genes, which are associated with PI3K-Akt, MAPK, TNF signaling pathway, and pathway in cancer. This study demonstrated the multicompound, multitarget, and multimechanism of P. freyniana, which are very beneficial to develop the further study and utilization of this plant including the material basis and quality control research.
研究领域:
植物化学
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药理学
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生物信息学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2021
·
IF 3.935
Mei Qu,Peng Xue,Qi Zhang,Tiantian Lu,Kun Liu,Bingying Hu,Jingjing Pang,Qianqian Xiao,Tongxin Xu,Quande Wang,Zhongzhe Cheng
Solasodine , a major ingredient in Solanaceae family, has various biological functions such as inducing neurogenesis, anticonvulsant and anti-tumor. Its risk assessment has also drawn public attention. However, little is known about its oral bioavailability and metabolic process. In this study, an liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed for the quantification of solasodine in mice dried blood spot (DBS) samples. To block nonspecific adsorption, DBS samples were pretreated with bovine serum albumin (BSA) and then extracted with ethyl acetate . This method was applied to a pharmacokinetic and bioavailability study of solasodine. The absolute bioavailability was only 1.28%. Thereafter, its metabolites in mice were characterized using an ultra-performance liquid chromatography Q-Exactive high-resolution mass spectrometer (UHPLC-QE-HRMS). Several isomeric metabolites were well separated and differentiated using their retention time, fragmentation pathways and correspondingly fragmentation rules of solasodine. As a result, 21 metabolites were characterized including 16 phase I and 5 phase II metabolites. The proposed metabolic pathways showed that solasodine mainly experienced oxidation, dehydration, dehydrogenation and sulfation. These results could help us to better understand the efficacy and safety of solasodine.
研究领域:
药理学
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代谢组学
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毒理学
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DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2023
·
IF 8.2
Qianqian Feng,Wei Yang,Zhiyun Peng,Guangcheng Wang
Oxalis corniculate L. ( O. corniculate ) was used to treat diabetes in Chinese folk as a popular tea drink. In this work, 31 compounds from O. corniculate were screened and identified as potential α-Glucosidase inhibitors (α-GIs). Among them, 6 compounds displayed stronger inhibitory activity than acarbose (IC 50 = 212.9 ± 5.98 μg/mL). Especially, the most effective compounds quercetin (Qu, IC 50 = 4.70 ± 0.40 μg/mL) and luteolin (Lu, IC 50 = 15.72 ± 0.75 μg/mL) inhibited α-Glu in competitive and mixed manners, respectively. Moreover, fluorescence quenching , circular dichroism (CD), and molecular docking study revealed that they can arouse the changes in the secondary structure and hydrophobic micro-environment of the enzyme mainly through a hydrophobic binding. Furthermore, it was observed that oral administration of Qu (20 mg/kg) can significantly reduce postprandial blood glucose (PBG) levels in mice vs. the control group. To sum up, the above research confirmed that O. corniculate could prevent and treat postprandial hyperglycemia as a good tea drink, and the plant was an excellent source to obtain natural α-GIs.
研究领域:
药理学
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生物化学
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分析化学
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药物化学
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DOI
PubMed
高影响因子
JOURNAL OF FOOD BIOCHEMISTRY
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2022
·Vol. 46
·期 8
·e14204
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IF 3.654
Tao Liu,Xingze Cao,Dongmin Cao
Osteoarthritis (OA) is a disabling disease and seriously affects the quality of life of patients. is A potential medicine for the treatment of OA is Eucommia ulmoides leaves (EULs). However, its active compounds and therapeutic mechanisms are unclear. Therefore, it is necessary to develop a method using LC–MS and network pharmacology for the detection and identification of compounds and the mechanisms of action of EULs. The compounds were detected and identified based on ultra-high-performance liquid chromatography coupled with Quadrupole Exactive-Orbitrap MS (UHPLC-Q Exactive-Orbitrap MS) and followed by the network pharmacology analysis. Seventy-three compounds, including 15 flavonoids, 8 iridoids, 10 lignans, 24 phenolic acids, and 16 additional compounds, were identified by UHPLC-Q Exactive-Orbitrap MS. The network of the pharmacological analysis revealed that 29 active compounds regulated 17 main pathways through 38 target genes, including NF-kappa B signaling pathway, PI3K-Akt signaling pathway, AMPK signaling pathway, etc. In conclusion, EULs were effective in the treatment of OA by regulating the abovementioned key pathways. This study showed that LC–MS/MS followed by network pharmacology analysis is useful to elucidate the complex mechanisms of action of Chinese herb. Practical applications This study describes a rapid method of detecting and identifying the constituents and systematic mechanism of Eucommia ulmoides based on LC–MS and network pharmacology. Our results show that 73 compounds of E. ulmoides leaves were identified and predicted that E. ulmoides leaves were effective in the treatment of OA by regulating key pathways, including NF-kappa B signaling pathway, PI3K-Akt signaling pathway, and AMPK signaling pathway by network pharmacology, which lays the foundation for subsequent research.
研究领域:
中药学
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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
Food Bioscience
·
2024
·
IF 4.8
Li Hao,Yulian Ding,Yan Fan,Chensi Xia,Yuqian Meng,Qiannan Jia,Jian Zhang,Changhu Xue,Hu Hou
Hyperuricemia (HUA) endangers renal function and induces gout. Although peptides from Antarctic Krill (AKP) showed anti -hyperuricemic effects, the underlying mechanism remained unclear. The study investigated the anti -hyperuricemic effect via xanthine oxidase (XOD) inhibitory activity, an adenosine-induced HK-2 cell model, and a potassium oxonate (PO)-induced mouse model. The AKP prepared using alkaline protease exhibited a strong XOD inhibitory activity with a low IC 50 value of 3.232 mg/mL. AKP (5 mg/mL) reduced the uric acid (UA) content by 40.50% in HK-2 cells ( p < 0.01). In addition, AKP (600 mg/kg/d) reduced serum UA level by 54.37% in a mouse model ( p < 0.01) and had an alleviating effect on HUA-induced inflammation. Besides, AKP supplementing could regulate the mRNA levels of renal UA urate transporters (GLUT9, ABCG2, OAT1, OAT3, and NPT1) to promote UA excretion. According to non-targeted metabolomics, AKP regulated metabolic disorders in HUA mice by proximal tubule bicarbonate reclamation, taurine and hypotaurine metabolism, and butanate metabolism, etc, providing useful clues for research on the molecular mechanism of AKP. In addition, AKP alleviated gout by reducing paw swelling and inflammatory factors (IL-6, TNF-α, IL-1β) levels.
研究领域:
药理学
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生物化学
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代谢组学
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分子生物学
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营养学
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产品关联
DOI
高影响因子
TOXICOLOGY AND APPLIED PHARMACOLOGY
·
2026
·
IF 3.6
Yihong Shen,Leping He,Chenglong Zheng,Dongmeng Liu,Zongmao He,Yuxia Zou,Guo-Sheng Wu,Chengwei He,Xiaofeng Wang,Ren-Bo Ding,Jiaolin Bao
Sertraline, a widely used antidepressant, has shown emerging anticancer activity, but its metabolic mechanism in colorectal cancer (CRC) remains unclear. In this study, we evaluated the in vivo antitumor effect of sertraline using a CT26 tumor-bearing BALB/c mouse model, and performed UPLC-MS-based untargeted metabolomics to characterize serum metabolic alterations. Our results found that sertraline significantly inhibited tumor growth in BALB/c mice and partially reversed tumor-associated metabolic disturbances. Notably, levels of arachidonic acid (AA), 11,12-epoxyeicosatrienoic acid (11,12-EET), and 12-KETE were markedly elevated in the tumor model group but shifted toward normal levels after sertraline treatment. Pathway analysis identified arachidonic acid metabolism as the most significantly affected pathway, and Western blot confirmed that sertraline downregulated ALOXE3 expression in both tumor tissues and CT26 cells. ROC analysis revealed that a panel of only two metabolites achieved an AUC of 0.845, demonstrating good discriminatory ability between the tumor model and sertraline-treated groups, while expanding to ten metabolites further improved the AUC to 0.975 (95% CI: 0.800–1.000). These findings suggest that sertraline exerts antitumor effects in CRC associated with metabolic remodeling of arachidonic acid metabolism and altered ALOXE3 expression, providing preclinical evidence supporting further investigation of sertraline as a potential drug-repurposing candidate for CRC.
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PubMed
高影响因子
Scientific Reports
·
2017
·Vol. 7
·期 1
·1-15
·
IF 4.259
Sun Zhi,Zuo Lihua,Sun Tongwen,Tang Jinfa,Ding Daling,Zhou Lin,Kang Jian,Zhang Xiaojian
To clarify and quantify the chemical profiling of XueBiJing injection (XBJ) rapidly, a feasible and accurate strategy was developed by applying ultra high performance liquid chromatography-Q Exactive hybrid quadrupole-orbitrap high resolution accurate mass spectrometry (UHPLC-Q-Orbitrap HRMS). A total of 162 components were characterized, including 19 phenanthrenequinones, 33 lactones, 28 flavonoids and 12 phenolic acids and 51 other compounds. Among them, 38 major compounds were unambiguously quantified by comparing with reference standards. Meanwhile, 38 representative compounds were simultaneously detected in XBJ samples by Q-Orbitrap HRMS. Satisfactory linearity and correlation coefficient were achieved with wide linear range. The precisions, repeatability, stability and recovery were meeting requirements. The validated method was successfully applied for simultaneous determination of 38 bioactive compounds in 10 batches XBJ samples. In addition, the similarity evaluation of fingerprintings was applied to assess the quality of XBJ. And the results were evaluated by multiple statistical strategies and five compounds might be the most important chemical markers for chemical quality control of XBJ. Finally, a rapid and simple UPLC-MS/MS method was developed for determination of five markers in XBJ sample. This research established a high sensitive and efficient strategy for integrating quality control, including identification and quantification of XBJ.
研究领域:
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
Journal of Analytical Methods in Chemistry
·
2021
·
IF 2.193
Shi-han Qin,Yuan Xu,Kai-lin Li,Kai-yan Gong,Jie Peng,Si-lin Shi,Fang Yan,Wei Cai
Aurantio-obtusin (AO) is a major anthraquinone compound isolated from Cassiae Semen or Duhaldea nervosa, which possesses diverse pharmacological effects. Previous studies have shown that it has a good effect on lowering blood lipids and treating various diseases. A few studies have also reported about its metabolites. A rapid and reliable method using ultra-high-performance liquid chromatography-Q-Exactive Orbitrap mass spectrometry and multiple data-processing technologies was established to investigate the metabolites of AO in the plasma and various tissues of rats, including the heart, liver, spleen, lung, kidneys, and brain. Finally, a total of 36 metabolites were identified in the plasma of rats, which could be very beneficial for understanding the effective form of AO metabolites leading to new drug discovery. The result demonstrated that this strategy, especially parallel reaction monitoring, has shown a wide range of applications in the identification of metabolites.
研究领域:
药理学
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分析化学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2019
·
IF 3.571
Hengqian Lu,Haiqin Chen,Xin Tang,Qin Yang,Hao Zhang,Yong Q. Chen,Wei Chen
The objective of the present study was to reveal the effects of four types of nitrogen sources (soymeal, yeast extract, KNO3, and ammonium tartrate) on the lipid metabolism of the oleaginous fungus Mortierella alpina using untargeted lipidomics, targeted fatty acid, and reverse transcription quantitative polymerase chain reaction (RT-qPCR) analysis. Our results showed clear differences in the contents and compositions of lipids between four types of nitrogen sources. Soymeal and ammonium tartrate supplementation favored the accumulation of triglycerides with arachidonic acid (ARA) and C16–18 fatty acids, respectively. These results were further validated by our targeted fatty acid analysis. RT-qPCR analysis of related genes in M. alpina between the four nitrogen source conditions found that soymeal supplementation dramatically increased the expression of GPAT, ELOVL, and Δ12/Δ6 desaturase. Our findings provided new insights into the regulation of lipid biosynthesis in M. alpina and potential avenues for genetic manipulation and highlighted the importance of an optimal nitrogen source for ARA-rich oil production.
研究领域:
生物化学
·
微生物学
·
分子生物学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2023
·
IF 8.8
Tongtong Jia,Shaolun Ouyang,Wenrui Chen,Ting Zhang,Mengqi Lu,Xiuying Zhou,Hongtao Lei,Xiaoqun Wei
To get rid of the singularity of the detection of veterinary drug residues in liquid milk, a high-throughput determination was developed for 126 VDRs in 17 categories in liquid milk based on the one-step extraction coupled with LC-HRMS (UPLC-Q-Exactive-Orbitrap-MS). The results showed that adding 2.5 mL of 0.1 mol/L Na2EDTA-McIlvaine in acetonitrile-methanol extractant (50:50, V/V) could effectively improve the response intensity of veterinary drug residues in liquid milk, reduce the matrix effect and eliminate the need for expensive SPE purification. The established external standard quantitative method has a LOD of 0.01–0.30 μg/L for all categories of veterinary drug residues, good linearity in the concentration range of LOQ of 0.03–1.00 μg/L, and correlation coefficients (r 2 ) were all greater than 0.995. The spike recoveries at all three levels were between 80.30% and 119.95%. The positive detection rate of this method in 128 actual samples was 8.59%.
研究领域:
分析化学
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食品科学
·
兽医学
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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）