JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2024
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IF 3.1
Jiayue Wang,Feixu Qin,Hongjin Wang,Lu Wang,Caihong Li,Lixin Sun
Senecio scandens Buch.-Ham., a traditional Chinese medicine commonly used clinically, exhibits various pharmacological properties, including anti-inflammatory, anti-tumor, antiviral, and antibacterial activities. However, its water extracts' chemical components and metabolites are inadequately understood, limiting further research. In this study, the chemical components and metabolism processes of Senecio scandens, both in vivo (plasma, feces, urine, and bile) and in vitro (gut microbiota and liver microsomes), were characterized based on ultra-high performance liquid chromatography coupled with hybrid quadrupole-orbitrap high-resolution mass spectrometry. Additionally, metabolites detectable in fecal samples and intestinal microbiota incubated but absent in liver microsomes were identified as characteristic metabolites of intestinal microbiota. The targets of the characteristic metabolites of intestinal microbiota were collected, followed by exploration of potential pathways through KEGG enrichment analysis. As a result, a total of 133 chemical components were preliminarily identified, including 35 organic acids, 21 alkaloids, 19 flavonoids and their glycosides, 17 phenylpropanoids, 10 jacaranda ketones, and 31 other compounds. Notably, 12 of these were potentially novel compounds. In addition, 39 prototype components in rats and 109 metabolites were identified and characterized, including 102 in vivo and 52 metabolites in vitro (51 in rat gut microbiota and 24 in rat liver microsomes). The main metabolic pathways include oxidation, reduction, hydrolysis, methylation, glucuronidation, sulfonation, and acetylation reactions. Furthermore, KEGG enrichment analysis revealed that the characteristic metabolites of intestinal microbiota may be related to the ErbB, FoxO, mTOR, and MAPK signaling pathways, exhibiting anti-inflammatory and anti-tumor effects. In summary, the chemical components and metabolites of Senecio scandens were comprehensively identified using a rapid and accurate method, providing a scientific basis for the in-depth study of the material basis and its clinical application of Senecio scandens .
研究领域:
药理学
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代谢组学
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生物信息学
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中药学
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化学生物学
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微生物学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2022
·
IF 8.008
Li Liu,Geng-Yu Bao,Shu-Sheng Zhang,Yong Qin,Xiu-Ping Chen,Ming-Dan Wang,Jian-Ping Zhu,Hang Yin,Guo-Qiang Lin,Chen-Guo Feng,Fang Zhang,Yin-Long Guo
The amine submetabolome, including amino acids (AAs) and biogenic amines (BAs), is a class of small molecular compounds exhibiting important physiological activities. Here, a new pyrylium salt named 6,7-dimethoxy-3-methyl isochromenylium tetrafluoroborate ([d0]-DMMIC) with stable isotope-labeled reagents ([d3]-/[d6]-DMMIC) was designed and synthesized for amino compounds. [d0]-/[d3]-/[d6]-DMMIC-derivatized had a charged tag and formed a set of molecular ions with an increase of 3.02 m/z and the characteristic fragment ions of m/z 204.1:207.1:210.1. When DMMIC coupled with liquid chromatography-mass spectrometry (LC-MS), a systematic methodology evaluation for quantitation proved to have good linearity (R2 between 0.9904 and 0.9998), precision (interday: 2.2–21.9%; intraday: 1.0–19.7%), and accuracy (recovery: 71.8–108.8%) through the test AAs. Finally, the methods based on DMMIC and LC-MS demonstrated the advantaged application by the nontargeted screening of BAs in a common medicinal herb Senecio scandens and an analysis of metabolic differences among the amine submetabolomes between the carcinoma and paracarcinoma tissues of esophageal squamous cell carcinoma (ESCC). A total of 20 BA candidates were discovered in S. scandens as well as the finding of 13 amine metabolites might be the highest-potential differential metabolites in ESCC. The results showed the ability of DMMIC coupled with LC-MS to analyze the amine submetabolome in herbs and clinical tissues.
研究领域:
分析化学
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代谢组学
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医学
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DOI
高影响因子
Journal of Inflammation Research
·
2022
·
IF 4.631
Fan Ye,Yucui Jiang,Jian Zhang,Yingxin Zong,Mei Yu,Cuihua Chen,Chan Zhu,Yan Yang,Keke Jia,Gongxi Chen,Zongxiang Tang
Background Senecio scandens Buch.-Ham (S. scandens) belongs to the Compositae family. As a Traditional Chinese medicine, S. scandens has been used in China to treat conjunctivitis, mastitis and vaginitis, it also has the function of antibacterial and relieving itching.Methods Water extract of S. scandens (WSS) was prepared and its quality was controlled by HPLC. The antipruritic effects of WSS were evaluated by itch behavioral experiments. The oxazolone and compound 48/80 were induced to mice scratch behavior, scratch was recorded 30 min after sensitization. The relationship between the antipruritic mechanism and MrgprB2 on mast cell was studied by using mast cell-deficient Kit (W-sh) “Sash” mice and MrgprB2−/− mice. The mast cells were observed by toluidine blue staining. In vitro, the effects of WSS on MrgprB2 were studied by calcium imaging; The whole-cell patch clamp method recorded the MrgprB2 mediate voltage-dependent currents in mast cells.Results The content of rutin (0.012%) and hyperin (0.014%) in the WSS were determined. WSS could ameliorate the pruritus induced by Oxazolone (inhibition was 41.19%, p = 0.004) and compound 48/80 (inhibition was 50.29%, p = 0.001). Meanwhile, WSS could reduce the number of mast cells in mice skin tissue with allergic contact dermatitis (ACD) (p = 0.002) or compound 48/80 (p = 0.013). In addition, WSS could inhibit the calcium influx (1 mg/mL: p = 0.001, 3 mg/mL: p < 0.0001) and the voltage-dependent currents induced by activation of MrgprB2 on mast cell. WSS also attenuated the calcium influx induced by compound 48/80 in HEK293 cells overexpressing MrgprB2/X2.Conclusion These results showed that WSS could ameliorate pruritus by inhibiting MrgprB2 receptor on mast cells.
研究领域:
药理学
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免疫学
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中药学
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细胞生物学
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产品关联
DOI
PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2026
·Vol. 23
·期 4
·e03239
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IF 2.9
Nguyen Thi Kim Thanh,Phan Hong Minh,Ty Viet Pham,Nguyen Ngoc Linh,Nguyen Thi Thoa,Le The Hoai,Tran Quang Hai,Nguyen Thi Huong,Nguyen Xuan Ha,Ninh The Son
The study first describes chemical profiles of essential oils from Vietnamese Senecio scandens Buch.-Ham. ex D. Don. From the gas chromatography-mass spectrometry (GC-MS) analysis, the stem bark essential oil was characterized by the major compounds β -myrcene (19.7%), ( E )- β- ocimene (9.5%), and limonene (5.4%), while the leaf essential oil was dominated by trans-cadina-1(6),4-diene (11.0%), caryophyllene oxide (10.9%), (E)-caryophyllene (9.0%) , α -humulene (6.9%), germacrene D (6.8%), β -myrcene (6.7%), and cis-isolongifolanone (6.7%). The essential oils from the stem barks (IC 50 = 8.75 ± 0.42 µg/mL) and leaves (IC 50 = 12.40 ± 0.56 µg/mL) surpassed the standard allopurinol (IC 50 = 14.7 ± 0.71 µg/mL) in the xanthine oxidase (XO) inhibitory activity. Additionally, they showed strong cytotoxic, antioxidant, and anti-inflammatory activities with IC 50 values of 18.2–42.8 µg/mL. The stem bark sample further strongly inhibited the bacterium Bacillus cereus ATCC 11778 with the minimum inhibitory concentration (MIC) value of 64 µg/mL. In general, the stem bark essential oil consistently demonstrated stronger potency than the leaf essential oil. Molecular docking studies further supported that germacrene D, trans -cadina-1(6),4-diene, ( E )-caryophyllene, and α -humulene exhibited stronger binding affinities with the XO than the reference ligand guanine. These interactions were primarily mediated by hydrophobic contacts with key residues, with germacrene D and trans -cadina-1(6),4-diene emerging as the most potent inhibitors. Graphical Chemical profiling of Senecio scandens essential oils by GC-MS revealed distinct compositions between the stem bark and leaves, with major terpenoids identified. The essential oils exhibited significant biological activities, supported by in silico molecular docking analysis.
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DOI
高影响因子
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