JOURNAL OF ETHNOPHARMACOLOGY
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2023
·
IF 5.4
Benyu Liu,Shiming Fang,Kun Zhou,Lulu Ma,Yaling Shi,Yuefei Wang,Xiumei Gao
Ethnopharmacological relevance Fructus Psoraleae (FP), the dried and ripe fruit of Cullen corylifolium (L.) Medik., is widely used due to its various clinical pharmacological effects, but its hepatotoxicity restricts its clinical application. So far, its hepatotoxic components and their underlying mechanism have not been systematically elucidated. Aim of the study This study was undertaken to reveal the hepatotoxicity distinction of coumarin-related compounds from glycosides to aglycones in FP and elucidate their potential mechanism. Methods Rats were administrated with the aqueous extract of Fructus Psoraleae (AEFP), in which eight coumarin-related compounds were focused. Subsequently, compounds exposed in rats' livers were detected by UPLC-Q-TOF-MS, and the identified hepatotoxic compounds were evaluated to elaborate their possible mechanism by the aid of high content analysis (HCA). Results Eight coumarin-related compounds were identified, among which psoralenoside (PO), isopsoralenoside (IPO), psoralen (P), and isopsoralen (IP) were the principally exposed compounds in rats' livers. Furocoumarinic acid glucoside (FAG), ( E )-3-(4-(((2 S , 3 R , 4 S , 5 S , 6 R )-3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydro-2 H -pyran-2-yl) oxy) benzofuran-5-yl) acrylic acid (isofurocoumarinic acid glucoside, IFAG), furocoumarinic acid (FA), and ( E )-3-(4-hydroxybenzofuran-5-yl) acrylic acid (isofurocoumarinic acid, IFA) were also detected in low abundance. P, IP, FA, and IFA were identified as the hepatotoxic compounds, while their glycosides were almost non-hepatotoxic. The HCA's results showed that hepatotoxic compounds disrupted the balance in reactive oxygen species (ROS), nuclear area, and mitochondrial membrane potential of HepG2 cells, leading to the occurrence of hepatotoxicity. Conclusions P, IP, FA, and IFA were identified as hepatotoxic compounds, from which P and IP were proposed as the important risk components for hepatotoxicity. The conversion from glycosides to aglycones played an essential role in FP-induced hepatotoxicity.
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高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2020
·Vol. 34
·期 10
·e4919
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IF 1.728
Xinchi Feng,Kun Wang,Xintong Hu,Liwei Chai,Shijie Cao,Liqin Ding,Feng Qiu
Rhizoma coptidis has been used for a long time in China owing to its anti-bacterial, anti-diabetes, anti-hyperlipidemia and anti-obesity activities. However, the in vivo biotransformation of Rhizoma coptidis is still unclear to date. In this study, a three-step strategy using UPLC-Q-TOF/MS was applied to clarify the in vivo absorbed constituents and metabolites in rats after oral administration of Rhizoma coptidis. First, alkaloids in Rhizoma coptidis extract were identified. Second, six abundant alkaloids (berberine, palmatine, coptisine, epiberberine, jatrorrhizine, and columbamine) were selected as representative prototypes and the metabolic fates of them in rats were investigated to obtain a database of Rhizoma coptidis -derived metabolites. Finally, the metabolic profiles of Rhizoma coptidis were fully elucidated based on the above-mentioned results. In summary, 29 alkaloids were identified in Rhizoma coptidis , and a database of Rhizoma coptidis -derived metabolites was obtained with 144 characterized metabolites. A total of 89 xenobiotics including 12 absorbed constituents and 77 metabolites were identified in dosed rat biosamples. Major metabolic pathways of Rhizoma coptidis were hydroxylation, reduction, methylation, demethylation, demethylenation, desaturation, glucuronidation and sulfation. This is the first systematic study on the in vivo absorbed constituents and metabolic profiling of Rhizoma coptidis and will be beneficial for its further studies.
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Food & Function
·
2019
·Vol. 10
·期 9
·5656-5668
·
IF 3.241
Mengying Wei,Zhongying Liu,Yuanyuan Liu,Shizhe Li,Mingxin Hu,Kexin Yue,Tianshu Liu,Yang He,Zifeng Pi,Zhiqiang Liu,Fengrui Song
Schisandra chinensis (Turcz.) Baill (S. chinensis), a functional food, is used as a tonic and sedative agent in traditional Chinese medicine. Modern pharmacological research has proved that S. chinensis could prevent and treat age-related neurodegenerative diseases. The presence of bioactive lignans in S. chinensis is the main reason for its neuroprotective and cognitive enhancement effects. This study aimed to clarify the mechanism of lignans in S. chinensis in ameliorating learning and memory deficits in Alzheimer's disease (AD) animals. The step-down test and Morris water maze (MWM) test were used to verify the effects of lignans in S. chinensis on learning and memory in AD animals. Then, metabolomics approaches based on ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) were used to clarify the mechanism of lignans in S. chinensis in treating AD. Finally, quantitative analysis of AD-related neurotransmitters in the brain was conducted after treatment with lignans in S. chinensis. In the MWM and step-down tests, lignans in S. chinensis showed a clear ability to ameliorate the impaired learning and memory of AD animals. A total of 31 endogenous metabolites were identified after treatment with lignans in S. chinensis, which were associated with lignans ameliorating learning and memory. These biomarkers were mainly associated with polyunsaturated fatty acid metabolism and amino acid and vitamin metabolism. Moreover, lignans in S. chinensis upregulated the levels of γ-aminobutyric acid (GABA), 5-hydroxytryptamine (5-HT), acetylcholine (Ach), norepinephrine (NE) and glycine (Gly) and downregulate the level of aspartic acid (Asp). Lignans in S. chinensis might alleviate the neurotoxic effects of neurological inflammation and oxidative stress, Aβ deposition, and tau phosphorylation via the regulation of multiple endogenous metabolic pathways during pathological AD. The research might provide useful support for the further study of pharmacology and new drug development of lignans in S. chinensis.
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Evidence-based Complementary and Alternative Medicine
·
2019
·
IF 1.984
Xin Li,Mingqin Kang,Ningning Ma,Tan Pang,Yanjun Zhang,Hua Jin,Zhen Yang,Lili Song
Lycopodium clavatum is a dry whole grass of Lycopodium japonicum Thunb.; it has been extensively used to anti-inflammatory, antioxidant, and antimicrobial actions and inhibits acetylcholinesterase activity. However, it lacks further compounds research of Lycopodium clavatum in vivo and in vitro. In this work, a rapid method was established using the ultra high performance liquid chromatography with quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS) combined with multiple data-processing approaches for compounds analysis of Lycopodium clavatum in vitro and in vivo. Finally, 30 peaks were characterized in 75% ethanol extract of Lycopodium clavatum and 17 peaks were characterized in rat plasma that including 12 prototype compounds and 5 metabolites. Methylation and demethylation are the main transformation reactions of Lycopodium clavatum in rat serum. This work could be helpful for understanding the complex compounds of Lycopodium clavatum and further analyzing the pharmacological studies of active compounds.
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Food Bioscience
·
2024
·
IF 4.8
Hui-Bin Jiang,Pan Nie,Zi-Han Lin,Chuang Zhu,Ling-Yue Zhong,Fen-Fen Wei,Yan Wu,Li-Hua Song
Fermentation is a commonly used technique that can effectively enrich bioactive compounds, and further enhance the bioactivity of food. To effectively enrich polyphenols and flavonoids, the quinoa and black barley were co-fermented with Lactobacillus kisonensis in present study. The in vitro antioxidant bioactivities and inhibition rate on key enzymes related with glucose metabolism of the co-fermented cereals were evaluated; the secondary metabolites such as polyphenol and flavonoid were identified by UPLC-Q-TOF-MS E -untargeted metabolomics technique, and the KEGG (Kyoto Encyclopedia of Genes and Genomes) pathways were primarily analyzed. The results showed that the content of protein in the precipitate, as well as soluble and total dietary fiber, significantly increased ( p < 0.05) in the co-fermented quinoa with black barley compared to the fermentation of quinoa or black barley alone or to the un-fermentation groups. The total contents of polyphenol and flavonoid in the co-fermented grains were significantly increased by 55.65% and 25.90%, respectively, compared with the un-fermentation group ( p < 0.05). Elevated levels of polyphenol flavonoids, such as coumaric acid, (2R,3R)-Taxifolin7- O -α- l -rhamnopyranosyl-(1→6)-β- d -glucopyranoside and ferulic acid sodium, contributed to the significant improvement in in vitro bioactivities, such as antioxidant capacity and inhibitory activity on α-amylase and α-glucosidase. Correlation analysis revealed positive associations between 9 polyphenols and flavonoids in the supernatant and 12 in the precipitate with these in vitro bioactivities mentioned above. The enrichment of these metabolites is mainly involved in biosynthesis of flavonoid, anthocyanin, and phenylpropanoid. In summary, our study suggests that co-fermentation of quinoa and black barley is a promising approach to enhance the bioactivity of grains.
研究领域:
食品科学
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营养学
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生物化学
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微生物学
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代谢组学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2024
·
IF 3.1
Fangqi Cao,Shuchen Yu,Xiujuan Chen,Lu Xiao,Tingting Qiu,Xiru Wang,Daiwen Zhang,Xiaoliang Yuan,Ping Shi
Synthetic cannabinoids (SCs) are an evolving class of new psychoactive substances (NPS) with structurally various compounds that are increasing over the past few years. Therefore, they are initially hard to identify because of the lack of analytical information. Moreover, there is little to no information regarding the pharmacology of these compounds despite human abuse. In the present study, gas chromatography-mass spectrometry (GC-MS), ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF MS), and nuclear magnetic resonance (NMR) spectroscopy were used to identify the structure of three compounds obtained from seized materials. The pharmacological properties of these compounds were evaluated by subsequent behavioral testing, including von Frey and cold allodynia tests. The results indicated that these compounds were determined to be 2-(1 H -indazole-3-carboxamido)-3,3-dimethylbutanoate (MDMB-INACA), N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1 H -indazole-3-carboxamide (ADB-INACA), and N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexyl-1 H -indazole-3-carboxamide (ADB-HINACA) via GC-MS, UPLC-Q-TOF MS and NMR analysis, and they can attenuate mechanical and cold allodynia induced by paclitaxel in rats with peripheral neuropathy. Compared with MDMB-INACA and ADB-HINACA, ADB-INACA showed better analgesic effects on paclitaxel-induced peripheral neuropathy (PIPN) in rats, and its effect was similar to that of the positive drug N′-(1-hexyl-2-oxoindolin-3-ylidene) benzohydrazide (MDA-19).
研究领域:
药理学
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毒理学
·
分析化学
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CYTOTECHNOLOGY
·
2026
·Vol. 78
·期 3
·122
·
IF 2.2
Yang KaiYu,Li QingSong
To systematically characterize the chemical constituents and serum metabolites of Qijingmingmu decoction (QJMM) and to explore its potential anti-aging mechanisms using an integrated strategy combining UPLC-Q-TOF-MS and network pharmacology. The chemical components of QJMM were identified using UPLC-Q-TOF-MS. Rats were administered QJMM at different doses, and serum samples were collected for metabolite profiling. The absorbed prototype components and metabolites were analyzed. Potential targets of QJMM were predicted using public databases, and protein–protein interaction (PPI) analysis, Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed. A total of 66 compounds were identified in QJMM, and 38 metabolites were detected in rat serum, including both prototype compounds and their transformed products. Several representative metabolites, such as dihydroferulic acid 4-O-glucuronide, ferulic acid sulfate, and wedelolactone glucuronide, were identified as key in vivo components. Network pharmacology analysis suggested that QJMM may exert anti-aging effects by regulating multiple targets, including RELA, ESR1, TNF, and HSP90AB1, and modulating signaling pathways such as the NF-κB, TNF, and HIF-1 pathways. This study provides a preliminary characterization of the chemical and metabolic profiles of QJMM and offers insights into its potential multi-target mechanisms underlying anti-aging effects.
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MICROCHEMICAL JOURNAL
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2026
·
IF 5.1
Jie-Ping Fan,Ming-Ru Xie,Li-Peng Zhong,Yi-Jun Cao,Ping Gan,Hui-Ping Chen,Hai-Long Peng,Chun-Fang Xie
Developing candidates from medicinal plants for snakebite treatment is quite promising but still remains challenging. The widespread snake venom phospholipase A 2 (svPLA 2 ) is considered as an important therapeutic target for treating snakebite envenomation. In this study, a ligand fishing based platform was established following the immobilization of svPLA 2 onto Fe 3 O 4 magnetic nanoparticles for the first time. After investigating the enzymatic properties and verifying the ligand fishing efficacy, the developed platform was applied to screen svPLA 2 inhibitors from Hedyotis diffusa Willd . and Paris polyphylla . Three compounds (chlorogenic acid, caffeic acid, 2-hydroxycinnamic acid) from Hedyotis diffusa Willd . aqueous extracts and four compounds (rutin, cynaroside, kaempferol, 2-hydroxycinnamic acid) from Paris polyphylla aqueous extracts were screened and identified as potential inhibitors by coupling with UPLC-Q-TOF/MS. Their inhibitory activity was verified through an enzymatic inhibition assay, and their interaction with svPLA 2 enzyme was confirmed by molecular docking. The results demonstrated the developed platform was feasible for the rapid and accurate screening of svPLA 2 inhibitors from medicinal plant extracts. This study provides a strategy for the future development of next-generation antivenom treatments.
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高影响因子
MOLECULES
·
2023
·Vol. 28
·期 4
·1947
·
IF 4.6
Zili Guo,Jiangxuan Lai,Yiwen Wu,Sheng Fang,Xianrui Liang
The changes in active components in mulberry leaves harvested in different months and their antioxidant activities were investigated. Ultra-high-performance liquid chromatography–tandem quadrupole time-of-flight mass spectrometry (UPLC–Q-TOF-MS) with multivariate statistical tools was used to investigate the chemical constituents in the extracts of mulberry leaves. The results indicated that mulberry leaves were rich in phenolic acids, flavonoids, organic acids, and fatty acid derivatives. In addition, 25 different compounds were identified in the different batches of mulberry leaves. The 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activity was measured to evaluate the in vitro antioxidant activities of mulberry leaves. Among the four batches, batch A, harvested in December, exhibited the strongest DPPH radical-scavenging activity, while batch B, harvested in March, showed the weakest activity. This was related to the total phenolic content in the mulberry leaves of each batch. The optimal harvest time of mulberry leaves greatly influences the bioactivity and bioavailability of the plant.Keywords:mulberry leaf;chemical constituent;antioxidant;UPLC–Q-TOF-MS;free radical scavenging activity
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Drug Design Development and Therapy
·
2022
·
IF 4.319
Yiting Luo,Jin Wu,Yingchao Liu,Yan Shen,Fangyuan Zhu,Jiaqian Wu,Yuyao Hu
Purpose Shaoyao decoction (SYD) is a traditional Chinese medicine used to treat ulcerative colitis (UC). The exact mechanism of action of SYD in UC treatment is still unclear. Here, we examined the therapeutic effects of SYD in mice with dextran sulfate sodium (DSS)-induced colitis and explored the underlying mechanism. Methods The experimental group was divided into normal control, UC, and SYD treatment groups. The UC model of C57BL/6 mice was induced using 3% (w/v) DSS for 7 days. SYD was orally administered for 7 days. The proximal and distal colonic metabolic profiles were detected using quadrupole-time-of-flight mass spectrometry-based untargeted metabolomics. Results SYD significantly increased weight, reduced disease activity index scores, and ameliorated colon length shortening and pathological damage in mice. In the distal colon, SYD increased the abundance of phosphatidic acid and lysophosphatidylethanolamine and decreased the abundance of lactosylceramide, erythrodiol 3-palmitate, and lysophosphatidylcholine. In the proximal colon, SYD increased the abundance of palmitic acid, cyclonormammein, monoacylglyceride, 13S-hydroxyoctadecadienoic acid, and ceanothine C and decreased the abundance of tetracosahexaenoic acid, phosphatidylserine, and diglyceride. Conclusion Our findings revealed that SYD could alleviate UC by regulating metabolic dysfunction, which provides a reference for further studies on SYD.
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Phytochemistry Letters
·
2020
·
IF 1.459
Yin Zhang,Jianfeng Shi,Qianqian Fei,Yiping Huang,Fenxia Zhu,Jing Wang,Daoquan Tang,Bin Chen
The present study aimed to investigate the effects of steamed notoginseng single-flavored medicine, herb pairs, compound medicine on anemia rats induced by N-acetyl phenyl hydrazine (APH) to explore the underlying hematinic regulation mechanisms. Rats were randomly divided into seven groups: control group (CG); model group (MG); positive control group (PCG); steamed notoginseng group (SNG); ginseng group (GG); herbal pair group (HPG) and compound prescription group (CPG). Day 12 of the experiment, the blood routine examination of the rats was measured. At the same time, the rats' plasma and urine samples were collected. An Ultra-performance Liquid Chromatography-Quadrupole-Time-of-Flight / Mass Spectrometry (UPLC-Q-TOF/MS) with unsupervised principal component analysis (PCA) and supervised partial least squares discriminant analysis (PLS-DA) combined analytical method was established for metabolomics study of steamed notoginseng . Compared with the CG, red blood cell (RBC) and hemoglobin (Hb) levels in the MG were significantly lower (P < 0.01). The results of blood routine examination show that the model of the rats with blood deficiency syndrome have successfully modelled. Compared with the MG, steamed notoginseng can significantly increase the RBC level of rats (P < 0.01), indicating that steamed notoginseng has the blood tonic effect. The related indicators of each administration group showed a good trend of returning to normal. 44 potential biomarkers for hemolytic anemia were screened from plasma and urine samples. Compared with the CG, there were down-regulation seven biomarkers in plasma of the MG, such as retinol, l -valine and arachidonic acid, and 14 biomarkers up-regulated such as protoporphyrin IX and nicotinamide; 28 metabolites such as proline, histidine, phenylalanine, l -arginine and l -tyrosine were up-regulated in urine of the MG. The metabolic level of biomarkers could be changed to a normal state after the rats were given steamed notoginseng , herb pairs, and compound prescriptions. It is presumed that steamed notoginseng plays a role in blood enriching through 12 metabolic pathways, including valine, leucine and isoleucine biosynthesis, phenylalanine, tyrosine and tryptophan biosynthesis, retinol metabolism and so on.
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JOURNAL OF ETHNOPHARMACOLOGY
·
2025
·
IF 5.4
Yuxin Li,Yuanyuan Sheng,Wenxin Xia,Jiahui Yue,Lulu Wang,Xueyan Fu
Ethnopharmacological relevance Zhigancao decoction (ZGCD) is a classic plant-derived compound traditional Chinese medicine, which is widely used in the treatment of arrhythmia, palpitation, weakness of spleen and stomach, and deficiency of qi and blood. However, there are still some deficiencies in the current quality assessment system, especially the lack of systematic selection of quality control indicators. It is urgent to establish a robust quality control paradigm based on multi-dimensional analysis. Aim of the study In this study, combined with the effect of Yiqi Fumai of ZGCD, the Q-marker of ZGCD for the treatment of arrhythmia was effectively identified by multi-dimensional integration of its absorption components and metabolomics data. Materials and methods In this study, a rat model of arrhythmia with heart yin deficiency was used to study the pharmacodynamics of ZGCD. UPLC-Q-TOF/MS was utilized to characterize serum migration components, while integrative metabolomic correlation studies identified critical quality markers (Q-Markers) underlying ZGCD’s antiarrhythmic efficacy. Results Pharmacodynamic evaluation revealed that ZGCD effectively restored dysregulated levels of Malondialdehyde (MDA), Superoxide dismutase (SOD), Lactate dehydrogenase (LDH), Na + /K + -ATPase, Calmodulin (CaM), and Calcium/Calmodulin-Dependent Protein Kinase-II (CAMK2) in arrhythmia models. Subsequent investigations demonstrated ZGCD's capacity to ameliorate cardiac pathology in arrhythmia models, corroborating its traditional efficacy in "replenishing qi and restoring pulse rhythm". In ZGCD-containing serum, a total of 105 components were identified as absorbed into the blood. Among them, 42 were prototype components and 63 were metabolites. In addition, endogenous metabolic marker analysis showed that 29 components showed significant correlation with these biomarkers. Conclusion ZGCD demonstrates efficacy in relieving cardiac arrhythmia and the efficacy of tonifying spleen and stomach is related to the regulation of substance / energy metabolism. Key Q-markers: Glycyrrhizae Radix et Rhizoma Praeparata Cum Melle (Liquiritigenin, Isoliquiritin, 18α-glycyrrhetinic acid); Ginger (Gingerol); Cinnamomum cassia (3,4,5-trimethoxycinnamic acid, cis-cinnamic acid, p-coumaraldehyde, sinapaldehyde, cinnamyl acetate); Ginseng ((20R)-ginsenoside Rh2, F1, ginsenoside); Rehmanniae Radix (Methyl cis-9,10-methylenehexadecanoate); Ass-hide Gelatin (l-Isoleucine, Asp, Leu, Tyr, Met, Pro, His, Lys); Radix Ophiopogonis (L-glutamic acid, linolenic acid); Cannabis Fructus (γ-linolenic acid, THC, cannabidiolate); Zizyphus jujuba (L-α-leucine, L-proline zwitterion, Asp).
研究领域:
药理学
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中医药学
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代谢组学
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心脏病学
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药物分析
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民族药理学
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系统生物学
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危险品化学品经营许可证（带存储）