PLANTA MEDICA
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2022
·Vol. 88
·期 14
·1369-1383
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IF 3.007
Song Mengmeng,Xu Zhuicheng,Han Sixuan,Sheng Xianjie,Chen Yan,Li Xinru,Su Yan,Li Qin,Shan Chenxiao,Xie Tong,Kang An
Agrimonia pilosa is a perennial herbaceous flowering plant, commonly known as agrimony or hairy agrimony. The dried aerial parts of this species have been widely used for the treatment of acute diarrhea, hemostasis, and other inflammation-related diseases. However, information on the in vivo metabolism of A. pilosa constituents is limited. In this study, the phytochemical profile of A. pilosa was investigated using HPLC-Q-TOF-MS/MS combined with a nontargeted diagnostic ion network analysis strategy. An information-dependent acquisition method with multiple filters was utilized to screen possible prototypes and metabolites in complex biological matrices. Furthermore, various data-processing techniques were applied to analyze possible prototypes and their metabolites in rat plasma, feces, and urine following oral administration of A. pilosa extract. A total of 62 compounds, which belonged to five main structural classes (21 phenols, 22 flavonoids, 6 coumarins, 3 triterpenes, and 10 organic acids), were tentatively identified in A. pilosa. In addition, using our proposed stepwise method, 32 prototypes and 69 metabolites were detected in rat plasma, feces, and urine. The main metabolic pathways after the oral administration of A. pilosa extract were revealed to include methylation, dihydroxylation, demethylation, hydrolysis, sulfation, and glucuronidation. This comprehensive in vivo and in vitro identification of the possible active components in A. pilosa could provide a basis for understanding its various pharmacological activities.
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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PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2018
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IF 2.831
Guoyong Xie,Qiuhong Xu,Ran Li,Lu Shi,Yu Han,Yan Zhu,Gang Wu,Minjian Qin
The dried flowers and inflorescences of Buddleja officinalis Maxim are used as traditional medicines in China, and aqueous extracts of the flowers have also been used since ancient times as a yellow rice colorant at local festivals. In this study, HPLC-Q-TOF-MS/MS was used to determine the overall chemical composition of this medicine-food plant. A total of 54 compounds, including 23 flavonoids, 19 phenylethanoid glycosides, 7 alkaloids and 5 other compounds, were detected in the methanol extracts of the herb using this method. Among them, 35 compounds were found firstly in this herb. HPLC fingerprints were also developed, together with a method for the simultaneous quantification of 11 constituents that could be used for quality evaluation of B. officinalis . Fingerprint analysis, using 28 characteristic fingerprint peaks, was used to assess the similarities among 12 samples collected from different geographic areas and showed that the similarity was >0.900. Simultaneous quantification of 11 markers in B. officinalis was then performed to determine consistency of quality. Additionally, the total phenolic content and antioxidant capacity of extracts of the 12 samples of B. officinalis flowers were measured using spectroscopic methods. B. officinalis was found to have good antioxidant capacity and to be a potential natural antioxidant. The highest antioxidant capacity was found in the samples from Guizhou, Sichuan and Guangxi Province. Our results provide valuable information for further understanding and exploiting the herb.
研究领域:
生药学
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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
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2026
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IF 2.5
Meng-Chao Wen,Ji-Yue Li,QianQian Sun,Chen Hu,SuLan Ju,Fang Tian,BiQing Chen,ChenYao Li,YanMei Liu,Jin-Yong Zhou,Jun Dong
Network pharmacological analysis of RGG was performed based on HPLC-Q-TOF-MS/MS. • RGG alleviates liver fibrosis and suppresses hepatic stellate cell activation. • RGG exerts anti-fibrotic effects through autophagy mediated by the PTEN/AKT/mTOR signaling pathway. To clarify the bioactive constituents and anti-fibrotic mechanisms of Rougan Granules (RGG), this study utilized HPLC-Q-TOF-MS/MS to identify its chemical profile, followed by network pharmacology and molecular docking to explore potential targets. In vivo, RGG was administered at different doses to mice with carbon tetrachloride (CCl 4 )-induced liver fibrosis. The attenuation of liver injury by RGG was evaluated via serum biochemical profiling, histological staining, and western blot analysis. In vitro, platelet-derived growth factor-BB (PDGF-BB) was used to activate LX-2 cells, and the mechanisms of RGG in suppressing hepatic stellate cell (HSC) activation were validated via immunofluorescence and western blot. Furthermore, autophagic flux was monitored using laser scanning confocal microscopy in LX-2 cells transfected with mRFP1-EGFP-LC3B lentivirus. A total of 120 chemical constituents were identified, with network pharmacology analysis indicating that quercetin, genistein, and kaempferol might serve as the primary bioactive components of RGG. Functional enrichment analysis revealed that common targets were significantly enriched in the phosphoinositide 3-kinase/protein kinase B (PI3K/AKT) signaling pathway. Molecular docking confirmed that these key components exhibited stable binding affinities for phosphatase and tensin homolog (PTEN) and AKT1. Both in vivo and in vitro experiments validated that RGG upregulates PTEN expression to inhibit the AKT/mechanistic target of rapamycin (mTOR) signaling pathway. Furthermore, RGG was shown to exert anti-fibrotic effects by inducing HSC autophagy through the modulation of this pathway. These findings reveal that RGG attenuates liver fibrosis via PTEN/AKT/mTOR-mediated autophagy, supporting its therapeutic potential.
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高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2026
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IF 8.7
Xiaona Cao,Gailing Tang,Xing Fan,Xinyu Gao,Tianxin Wang,Xiaohan Zhang,Wenjie Wang,Hao Wang
Establishing a chitosan microsphere-immobilized α-amylase system. • Identifying procyanidin B 2 as the core α-amylase inhibitory component within apple polyphenols. • Elucidating the inhibitory mechanism of procyanidin B 2 through multi-technique integration. Inhibition of α-amylase (PPA) delays starch digestion and glucose absorption, serving as an effective means to regulate postprandial hyperglycemia. Apple polyphenols (APE) exhibits PPA inhibitory activity, but their core active components and mechanisms of action remain unclear. This study employed immobilized enzyme coupled with HPLC-Q-TOF-MS/MS to screen PPA inhibitors from APE and elucidate their mechanisms of action.Using amino-modified chitosan microspheres as carriers, PPA was covalently immobilized via genipin-mediated Schiff base reaction. The optimal immobilization conditions were optimized (crosslinking agent concentration 0.17%, enzyme concentration 1 mg/mL, crosslinking 6 h, immobilization 14 h), establishing a stable screening system. APE was fractionated into 9 components by solvent precipitation, with component F 3 exhibiting the most potent inhibitory activity. Based on the aforementioned techniques, 4 active compounds were identified from F 3 , and validation confirmed that procyanidin B 2 (PC B 2 ) demonstrated the most effective inhibitory effect. In vitro experiments and multi-technology validation demonstrated that PC B 2 could delay starch hydrolysis and reduce the production of reducing sugars to regulate postprandial blood glucose, exhibiting reversible competitive inhibition against PPA (IC 50 = 0.25 mg/mL). It could bind to PPA and alter its secondary and tertiary structures, inducing intrinsic protein fluorescence quenching through static quenching. The binding of the two components triggered an exothermic reaction, forming a stable complex. Download: Download high-res image (140KB) Download: Download full-size image
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高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2023
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IF 5.9
Mengwen Lv,Yong Yang,Patrick Choisy,Tao Xu,Karl Pays,Ling Zhang,Jin Zhu,Qianyu Wang,Shanshan Li,Liangsheng Wang
Genus Paeonia is an important ornamental and medicinal crop . The flowers of Paeonia are rich in flavonoids , and flavonoids have excellent antioxidant and anti-inflammatory activities, which have the potential to slow down skin aging. In this study, flavonoids from whole flowers of six popular Paeonia cultivars were extracted using three different solvents. The composition and content of peony flowers flavonoids extracted with three solvents were determined by high performance liquid chromatography quadrupole time-of-flight mass spectrometry / mass spectrometry (HPLC-Q-TOF-MS/MS) and HPLC-diode array detection (DAD). A total of 26 flavonoids were isolated and identified, and 60 % ethanol showed the highest extraction efficiency. Not only flavonoids composition but also the content was significantly different in different peony flowers, among which ‘Hei Tian E’ had the most abundant composition (17 flavonoids) and the highest total content of flavonoids (57.75 mg/g DW by using 60 % ethanol). After that, the anti-skin photoaging effects of the 60 % ethanol extracts of the six Paeonia cultivars flowers were evaluated by UVR-Fulkutis and UVA-Fibroblasts photoaging models. Under exposure to UV radiation, some Paeonia flowers’ extracts can prevent the decrease of skin surface thickness and reduce the loss of Collagen IV and VII. In addition, the production and accumulation of ROS, MMP-1 and MMP-3 in fibroblasts were inhibited, indicating the attenuation of skin photoaging by the extracts. Among the six samples tested, ‘Hei Tian E’ whole flower extract (BH-HT) had the best comprehensive effect. Finally, the correlations between components and anti-photoaging efficacy were analyzed. We speculate that the anti-photoaging effect was significantly related to its richness in quercetin 3- O -di-glucoside, quercetin 3- O -glucoside, isorhamnetin 3- O -galloyl arabinoside, cyanidin 3,5-di- O -glucoside, cyanidin 3- O -glucoside, and peonidin 3- O -glucoside. In general, the results show that Paeonia flowers have potential for development of anti-photoaging herbal essence products.
研究领域:
药理学
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植物学
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化妆品科学
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分析化学
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高影响因子
BIOMEDICINE & PHARMACOTHERAPY
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2022
·
IF 7.419
Jie Mei,Ruilin Guo,Fan Zhang,Haiyan Zhang,Xinping Yang,Boyang Yu,Jihua Liu,Xiufeng Liu
Identification of bioactive principles from natural products is considered a challenging task in drug discovery. Recently, ligand fishing has been growing in interest as a sustainable strategy. In this study, a yeast-based drug discovery strategy was investigated to screen and fish active ingredients from natural products. Human monoacylglycerol lipase (MAGL) was first displayed on the cell wall of Pichia pastoris . The expression of MAGL on the cell surface was confirmed by immunofluorescence analysis. The activity toward 7-HCA which was consistent with free enzymes in solution. Recombinant yeast strains were used to screen the potential inhibitors from traditional Chinese medicines. Preliminary screening showed that the extracts of 12 herbs showed inhibition on MAGL activity, among which Corydalis Rhizoma had the highest inhibition rate of 60.66 ± 2.44%. Recombinant yeast fishing combined with HPLC-Q-TOF-MS/MS analysis was further used to identify the potential MAGL inhibitors. Finally, dehydrocorydaline (DHC) in Corydalis Rhizoma was determined as a ligand to MAGL with the IC 50 value at 154.7 μΜ. Corydalis Rhizoma has been used as a pain reliever in TCM. Intraperitoneal injection of 7 mg kg − 1 DHC in chronic constriction injury model rats significantly attenuated the mechanical allodynia and thermal hyperalgesia. Meanwhile, 2-arachidonoylglycerol, the major MAGL substrate in the brain, was significantly increased both in the hippocampus and striatum. In conclusion, yeast-based ligand fishing combined with HPLC-Q-TOF-MS/MS is a powerful strategy for drug discovery in complex mixtures and DHC from Corydalis Rhizoma was confirmed with high inhibitory activity to MAGL either in vitro or in vivo .
研究领域:
药理学
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药物发现
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生物化学
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中医药
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PubMed
高影响因子
MOLECULES
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2022
·Vol. 28
·期 1
·295
·
IF 4.927
Mengyu Li,Hui Luo,Zhen Huang,Jin Qi,Boyang Yu
Erdong Gao (EDG), consisting equally of roots of Asparagi Radix and Ophiopogonis Radix, is a well-known traditional Chinese formulation that has been used to treat cough and throat pain for centuries. However, the bioactive components in EDG remain to be elucidated. In this study, a rapid and effective method involving live cell bio-specific extraction and HPLC-Q-TOF-MS/MS was established to rapidly screen and identify the anti-inflammatory compounds of an EDG extract. One hundred and twenty-four components were identified in EDG extract using HPLC-Q-TOF-MS/MS analysis. After co-incubation with 16HBE, HPAEpiCs and HUVECs, which have been validated as the key target cells for pulmonary diseases, sixteen components were demonstrated to exhibit an affinity for binding to them. Furthermore, fifteen components were subsequently verified to exert anti-inflammatory effects on lipopolysaccharide (LPS)-induced 16HBE, HPAEpiCs and HUVECs via inhibiting the release of TNF-α and IL-6, indicating that nine steroidal saponins may possess potential for the treatment of lung-related diseases. Taken together, our study provides evidence that live cell biospecific extraction combined with the HPLC-Q-TOF-MS/MS technique was an efficient method for rapid screening potential bioactive components in traditional Chinese medicines and the structure activity relationship of steroidal saponins in EDG was summarized for the first time.Keywords:Erdong Gao;anti-inflammatory;steroidal saponins;structure activity relationship;cell extraction
研究领域:
药理学
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中药学
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分析化学
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细胞生物学
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PubMed
高影响因子
危险品化学品经营许可证（带存储）