INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2023
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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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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
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兽医学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD BIOCHEMISTRY
·
2022
·Vol. 46
·期 8
·e14204
·
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
TOXICOLOGY AND APPLIED PHARMACOLOGY
·
2026
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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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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2017
·
IF 3.255
Lihua Zuo,Qiuyue Zhong,Zhenhui Wang,Zhi Sun,Lin Zhou,Zhuolun Li,Tanye Xu,Yingying Shi,Jinfa Tang,Shuzhang Du,Xiaojian Zhang
Xuebijing injection (XBJ) is a traditional Chinese herbal prescription widely used in the treatment of sepsis. Extensive studies revealed that the major bioactive constituents of XBJ injection, including phenolic acids, flavonoids, monoterpene glycosides, lactones and organic acids, play an important role in the treatment. In this study, a rapid, sensitive and accurate ultra high performance liquid chromatography – Q Exactive hybrid quadrupole – orbitrap high-resolution accurate mass spectrometry (UHPLC-Q-Orbitrap HRMS) method was developed for simultaneous determination of twelve bioactive compounds in rat plasma after intravenous administration of XBJ injection. A gradient elution for separation was achieved on a waters ACQUITY UHPLC ® BEH C 18 column (2.1 mm × 50 mm, 1.7 μm) column with acetonitrile-water (containing 0.1% formic acid) as mobile phase at a flow rate of 0.2 mL/min. All compounds and IS were monitored by parallel reaction monitoring assay both in positive and negative ion mode. The developed method was validated for intra-day and inter-day accuracy and precision whose values fell in the acceptable limits. Extraction recoveries at three levels of QC concentrations were all more than 80% for all compounds and IS, and matrix effects were found in the range of 80.0–120.0%. Stability results showed that all analytes were stable at the investigated conditions. The validated method was successfully applied to a pharmacokinetic study of Xuebijing injection following intravenous administration of 2.5, 5.0, 10.0 mL/kg to rats respectively. And the result indicated that the pharmacokinetic behavior of XBJ injection is positively related to dosage at the range of 2.5–10 mg/kg. This study will provide a meaningful basis for evaluating the rationality of XBJ injection for clinical application.
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
JOURNAL OF FOOD SCIENCE
·
2024
·Vol. 89
·期 2
·1261-1279
·
IF 3.2
Shuang Li,Shubing Chen,Yanan Meng,Shun Zhang,Ting Cai
The aims of this study were to establish a novel method for simultaneously determining 61 acid dyes in chili, hotpot seasoning, and bearnaise sauce using double liquid–liquid extraction (d-LLE) technology. A mixture of water, methanol, and dichloromethane (1:3:1, v/v/v) was used as the extraction solution, which was actively separated into aqueous and organic phases at a fixed ratio. The clean-up step was initially completed by discarding the organic phase layer, which contained abundant lipophilic compounds. Subsequently, the aqueous phase was further separated by salting out, which effectively removed interference from the highly hydrophilic compounds. As a result of these two purification steps, the matrix suppression effect was significantly reduced by a minimum of 16.9%. Finally, the extract was analyzed using an ultrahigh-performance liquid chromatography-quadrupole Orbitrap mass spectrometer (UHPLC-Q-Orbitrap-MS), and the characteristic ion fragments (SO 3 − , m / z 79.9557) of the acid dyes were utilized for the preliminary qualitative analysis. The results showed that the 61 acid dyes showed a good linear relationship in the range of 0.01–0.2 µg/mL, and the limit of quantification (LOQ) was 0.01 mg/kg. The average recoveries were 74.3%–99.7%, with relative standard deviations (RSD) ≤10%. The proposed method can rapidly identify and quantify acid dyes in complex foods at a low cost, with high sensitivity and reliability.
研究领域:
食品科学
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分析化学
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产品关联
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
✓ 已验证
产品关联
DOI
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
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代谢组学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2016
·
IF 3.926
Weixuan Yao,Zhefeng Fan,Suling Zhang
A poly( N -vinylcarbazole- co -divinylbenzene) (NVC/DVB) monolithic column was successfully prepared in a silanized capillary for microextraction of six benzodiazepines (BZPs) in complex samples. The polymerization was optimized primarily by changing the ratio of porogen content. The optimized polymer monolith had a homogeneous and continuous column bed, good permeability and mechanical stability. Poly(NVC/DVB) had good affinity to BZPs because of its through-pore structure and strong π-π stacking interactions derived from the rich benzene functional groups in the polymer. Potential factors that affect the extraction efficiency were studied in detail. In the optimized method, 3 mL of sample (pH 2) was extracted with the polymer monolithic column and eluted with 80 μL of methanol, and the eluent was analysed with ultra-high-performance liquid chromatography and quadrupole high resolution Orbitrap mass spectrometry (UHPLC/Q-Orbitrap MS). Under these conditions, the developed method gave the linear range of 0.005–0.5 ng/mL for most of the six BZPs, whereas 0.05–0.5 ng/mL for nitrazepam, 0.01–0.5 ng/mL for lorazepam, respectively, with coefficients of determination (R 2 ) ≥ 0.9991. The detection limits (LODs) were 1.08–6.04 ng/L, and the quantification limits (LOQs) were 3.60–20.1 ng/L. The method repeatability was investigated in terms of intra- and inter-day precision, which were indicated by relative standard deviations (RSDs) of ≤8.3% and ≤9.9%, respectively. Finally, the proposed method was successfully applied to detect BZPs in beer and human urine samples. The percentages of extraction recovery were 80.4–94.2% for beer and 79.6–95.2% for urine.
研究领域:
分析化学
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药物分析
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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
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微生物学
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分子生物学
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产品关联
DOI
PubMed
高影响因子
Journal of Ginseng Research
·
2019
·
IF 4.029
Lele Li,Li Ma,Yunlong Guo,Wenlong Liu,Yang Wang,Shuying Liu
Background The reports about valuable oligosaccharides in ginseng are quite limited. There is an urgent need to develop a practical procedure to detect and analyze ginseng oligosaccharides. Methods The oligosaccharide extracts from ginseng were permethylated by solid-phase methylation method and then were analyzed by ultra-high-performance liquid chromatography-Q-Orbitrap/MS. The sequence, linkage, and configuration information of oligosaccharides were determined by using accurate m/z value and tandem mass information. Several standard references were used to further confirm the identification. The oligosaccharide composition in white ginseng and red ginseng was compared using a multivariate statistical analysis method. Results The nonreducing oligosaccharide erlose among 12 oligosaccharides identified was reported for the first time in ginseng. In the comparison of the oligosaccharide extracts from white ginseng and red ginseng, a clear separation was observed in the partial least squares-discriminate analysis score plot, indicating the sugar differences in these two kinds of ginseng samples. The glycans with variable importance in the projection value large than 1.0 were considered to contribute most to the classification. The contents of oligosaccharides in red ginseng were lower than those in white ginseng, and the contents of maltose, maltotriose, maltotetraose, maltopentaose, maltohexaose, maltoheptaose, maltooctaose, maltononaose, sucrose, and erlose decreased significantly ( p < 0.05) in red ginseng. Conclusion A solid-phase methylation method combined with liquid chromatography–tandem mass spectrometry was successfully applied to analyze the oligosaccharides in ginseng extracts, which provides the possibility for holistic evaluation of ginseng oligosaccharides. The comparison of oligosaccharide composition of white ginseng and red ginseng could help understand the differences in pharmacological activities between these two kinds of ginseng samples from the perspective of glycans.
研究领域:
植物化学
·
分析化学
·
药理学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
·
2025
·
IF 5.4
Wei Dai,Liping Dai,Tao Su,Qin Lin,Zhiwen Lin,Shuxin Ye,Peihao Xu,Hongfeng Chen,Xilong Zheng
A green ultrasound-assisted deep eutectic solvent (UAE–DES) method was optimised for extracting flavonoid enzyme inhibitors from Blumea aromatica. Optimal conditions (choline chloride-1,4-butanediol 1:3 molar ratio, 43% water content, 50 mL/g liquid-to-solid ratio, 80 °C ultrasound for 48 min) yielded 3.15% total flavonoids, 45.2% higher than 50% ethanol extraction. Scanning electron microscopy confirmed cell wall disruption. The UAE–DES extract showed the strongest enzyme inhibition among all extracts tested (IC50 35.872 ± 0.294 µg/mL for α-glucosidase, 9.126 ± 0.285 μg/mL for tyrosinase), though the α-glucosidase inhibition was much weaker than acarbose, while tyrosinase inhibition was comparable to kojic acid. Six flavonoids were identified via UPLC-Q-Orbitrap HRMS, including scutellarein and corylin. Molecular docking revealed strong binding affinities (≤ −5 kcal/mol), with corylin showing the highest binding to both enzymes through hydrogen bonds and van der Waals interactions. This approach supports sustainable discovery of natural enzyme inhibitors for antidiabetic and skin-whitening applications.
研究领域:
植物化学
·
酶学
·
绿色化学
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药学
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分析化学
✓ 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）