PHYTOMEDICINE
·
2024
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IF 6.7
Wenxin Xia,Yushu Wang,Jiahui Yue,Xueyan Fu
Background Honey-fried Licorice (HFL) is a dosage form of Glycyrrhizae Radix et Rhizome processed with honey, which has been recorded to exhibit better efficacy in tonifying the spleen compared to the raw product. In contrast, different processing methods of Glycyrrhizae Radix et Rhizome exhibit different efficacies and applications, but their current quality control index components remain consistent. Purpose Based on the discovery and research strategy of traditional Chinese medicine decoction piece quality marker (Q-marker), this study aimed to conduct a multidimensional integration of constituents absorbed into the body and metabolomics based on the tonifying spleen and stomach effects of HFL to effectively identify the Q-marker of HFL. Methods In this study, a spleen deficiency rat model was established using the "exhausted swimming + poor diet" method to investigate the pharmacodynamics of tonifying the spleen and stomach by HFL. The constituents absorbed into blood was conducted using UPLC-Q-TOF/MS, correlation analysis between metabolomics and constituents absorbed into blood recognized the Q-Marker of HFL. Results The pharmacodynamic data demonstrated that HFL exhibited a significant regulatory effect on the disordered levels of PP, trypsin, chymase, PL, α-Glu, MTL, GAS, VIP, IL-2, IFN-γ, and IgA in the spleen deficiency model. Furthermore, HFL was found to improve the pathological changes in the spleen and intestine in the spleen deficiency model, highlighting its significant "tonifying spleen and stomach" effect. In the serum containing HFL, a total of 17 constituents were identified as being absorbed into the blood. Among these, 11 were prototypical components, while 6 were metabolites. Metabolomics data revealed that 9 differentially expressed metabolic markers were observed. Furthermore, the analysis of endogenous metabolic markers indicated that 10 components exhibited significant correlations with these biomarkers. Conclusion The effect of "tonifying spleen and stomach" of HFL is closely related to the regulation of the material and energy metabolism pathway. The Q-Marker of HFL is glycyrrhizic acid and 18 β -glycyrrhetinic acid as the main control standards and liquiritin, isoliquiritin, liquiritin, isoliquiritin, isolicorice flavonol, licorice chalcone C and Formononetin were used as auxiliary standards.
研究领域:
中药学
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药理学
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代谢组学
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药学
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DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2023
·
IF 3.4
Yu Yang,Zhe Chen,Guangli Yan,Ling Kong,Le Yang,Hui Sun,Ying Han,Jie Zhang,Xijun Wang
Insomnia is an accompanying symptom of many diseases and is closely associated with neurodegenerative diseases. Naoling Pian (NLP) is a patented Chinese medicine mainly used to treat insomnia. To evaluate the sedative and hypnotic effects of NLP and its modulatory effects on biological metabolites and metabolic pathways, rats with p-chlorophenylalanine (PCPA)-induced insomnia were given different doses of NLP by oral gavage for seven days. Diazepam (DZP) served as a positive control. Behavior was measured using the open field test, and neurotransmitter levels in the brain tissue related to sleep were measured using ELISA. The metabolic profiles and biomarkers of PCPA-induced insomnia in rats before and after NLP administration were analyzed using UPLC-Q/TOF-MS combined with multivariate data analysis. The results showed that the levels of 5-hydroxytryptamine, gamma-aminobutyric acid, norepinephrine, and dopamine in the brain tissue were significantly recovered in the NLP treatment groups, demonstrating similar or even superior therapeutic effects compared to the DZP group. The behavior of the PCPA-model rats partially recovered to normal levels after seven days of treatment. Metabolomics identified 30 metabolites in the urine as potential biomarkers of insomnia, and NLP significantly altered 25 of these, involving 21 metabolic pathways. NLP has a remarkable effect on insomnia, the therapeutic effects of which may be largely due to the rectification of metabolic disturbances. This is the first study of the sedative and hypnotic effects of NLP from a metabolomic perspective.
研究领域:
药理学
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神经科学
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代谢组学
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中医
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DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2025
·
IF 3.1
Wenwen Zhou,Xiaoxiao Zhang,Meijuan Liu,Meiyu Wan,Shu Jiang,Erxin Shang,Jinao Duan
Guishao Yigong Decoction (GYD), a classic prescription that tonifies the spleen and qi, has been used in clinical practices for thousands of years to treat spleen deficiency. However, its in vitro and in vivo metabolic characteristics are still unclear. In this study, a rapid and reliable analytical method based on ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) with automated data processing (MetaboLynx) was established to investigate the metabolites and metabolic pathways of GYD in vivo and in vitro . Based on the characteristics of protonated ions, eleven precursors (ginsenoside Re, ginsenoside Rg1, ginsenoside Rb1, atractylenolide I, atractylenolide III, paeoniflorin, glycyrrhizic acid, pachymic acid, liquiritin, nobiletin, and ferulic acid) and their corresponding metabolites were detected and tentatively identified. A total of 81 metabolites were identified, including 53 metabolites in vivo , 40 metabolites of liver microsomes, and 43 metabolites of intestinal flora in vitro . Distinct metabolic patterns were observed between intestinal flora and liver microsomes - the former primarily catalyzed phase I transformations (hydroxylation, methylation, dehydroxylation, demethylation, and reduction), while the latter also executed phase II metabolism, with glucuronidation being the predominant conjugation reaction. The metabolic profiling and pathways of active components in GYD were systematically analyzed, which was helpful in clarifying its potential mechanism and clinical application.
研究领域:
药理学
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植物化学
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代谢组学
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中医药学
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药物代谢
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DOI
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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DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2021
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IF 4.556
Limin Wang,Kai Hong,Johnpaul I. Agbaka,Guangsen Zhu,Chenyan Lv,Changwei Ma
In this study, the evaluation of bitterness qualities and characteristic metabolite profiles in Krausen during beer fermentation were investigated using a UHPLC-Q/TOF-MS-based metabolomics approach and sensory evaluation analysis. Through sensory evaluation, Krausen was perceived as an extremely lingering bitterness character and exhibited impact on the bitter taste of beer and residue samples. Non-targeted metabolomics was employed to identify the potential bitter markers in Krausen through a differentiating approach across the metabolic profiles of Krausen, B1 (beer with Krausen removed), B2 (beer with Krausen retained), R1 (residue with Krausen removed), and R2 (residue with Krausen retained). Multivariate statistical analysis demonstrated that 41 of the screened key markers clustered towards the Krausen region were more or less hop bitter acid and its derivative. Subsequently, hop bitter acid and polyphenols were afterwards confirmed by quantification analysis. Both untargeted metabolomics and quantification results confirmed that isohumulones and humulinones contributed most towards the bitter profile of Krausen, while polyphenols may be not key compounds contributing to the bitter taste formation in Krausen. This study identified key bitter components of Krausen and may provided guidance for further research on taste quality of beer during fermentation.
研究领域:
食品科学
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代谢组学
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产品关联
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2019
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IF 3.571
Yu-Ying Zhang,Yu-Xi Liu,Zheng Zhou,Da-Yong Zhou,Ming Du,Bei-Wei Zhu,Lei Qin
Reversed-phase ultrahigh-performance-liquid chromatography–mass spectrometry (UPLC–MS) is the typical method for the lipidomic analysis of most of biological samples, which was rarely used for the comprehensive lipidomic analysis of marine shellfish. Thus, a range of columns, modifiers, and resuspension solvents were evaluated using UPLC-electrospray ionization-quadrupole time-of-flight-MS to facilitate the ionization efficiency in both the positive and negative electrospray ionization (ESI(+)/(−)) modes for abalone lipids. Optimal lipidomic coverage was acquired with 10 mM ammonium formate in both ESI(+)/(−) modes. The selected resuspension solvents also influenced ionization efficiency through the matrix effect, and resuspension in methanol enhanced the signal intensities by reducing ion suppression. Because of the higher glycerophospholipid content in shellfish, bridged ethylene hybrid C8 columns showed clear advantages over charged surface hybrid C18 columns. A series of glycerophospholipids, lyso-glycerophospholipids, glycerolipids, and fatty acids in different shellfish can be annotated and semiquantified in one injection by the optimized method.
研究领域:
分析化学
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生物化学
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DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2019
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IF 3.571
Fuqiong Zhou,Linxin Teng,Yu Liu,Yanxia Ma,Weiping Chen,Lei Bi
Salvianolic acid A (Sal A) has a wide range of pharmacological activities. To date, there have been no systematic and detailed metabolite research data of Sal A after oral administration in vitro and in vivo. In this study, a rapid and systematic method based on ultrafast liquid chromatography-quadrupole-time-of-flight mass spectrometry was developed to detect metabolites of Sal A in vitro (human liver microsome, human intestinal microbiota, artificial gastric, and intestinal juice) and in vivo (urine, plasma, feces, and various organs collected after oral administration of Sal A to normal rats and pseudo-germ-free rats). A total of 26 metabolites of Sal A were characterized. These metabolites were formed through extensive metabolic reactions, such as hydroxylation, hydrogenation, and glucuronidation reactions. This study provides novel possibility for exploring the potential biological mechanism of Sal A, and aids the promotion of clinical application.
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
Food Chemistry-X
·
2023
·
IF 6.1
Xin Zhang,Fuqiang Zhao,Tingting Ma,Yuanping Zheng,Jun Cao,Chuan Li,Kexue Zhu
This study aimed to use metabolomic methods to explore how Holothuria leucospilota polysaccharides (HLP) improved metabolism disorders in the liver of Goto-Kakizaki (GK) rats with spontaneous type 2 diabetes. The results showed that HLP effectively improved the metabolic disorder. Based on KEGG functional analysis, five key biomarkers associated with bile acid metabolism were detected and screened ( P < 0.05). The results of serum total bile acid levels and liver damage in diabetic rats further showed the regulatory effects of HLP on bile acid metabolism. The results of bile acid-related gene expression in the liver showed that HLP inhibited liver farnesoid X Receptor - small heterodimer partner (FXR-SHP) signalling and increased the expression of bile acid synthesis genes ( P < 0.05). Our results explored the underlying mechanisms by which HLP accelerated cholesterol consumption to anti-hypercholesterolemia and anti-diabetic by inhibiting liver FXR-SHP signaling. HLP's effect on bile acid regulation provides insights into treating T2DM.
研究领域:
代谢组学
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药理学
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糖尿病学
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分子生物学
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产品关联
DOI
PubMed
高影响因子
Arabian Journal of Chemistry
·
2022
·
IF 6.212
Xin Liu,Hao Cai,Minjie Niu,Hui Yu,Mengqing Wang,Hui Zhu,Gang Cao,Ke Pei,Yu Duan,Jiantao Song
Fructus Corni (FC), as a promising Chinese medicinal herb, has aroused considerable interest. Generally, FC needs to be processed according to the limited standard policy in China before clinical application, while the investigations on the specific processing methods (such as wine steaming or high-pressure wine steaming) are unclear. A comprehensive metabolomics strategy based on integrated non-targeted metabolomics and targeted glycomics in this paper was implemented to investigate the influences of the different processing technologies such as steaming, wine steaming, high-pressure steaming, high-pressure wine steaming, wine immersion, and wine stir-frying on FC, respectively. UHPLC-Q-TOF-MS/MS was employed for identifying and distinguishing the secondary metabolites. A total of 85 components were identified in all groups. The results of PCA score plots showed that the crude and processed samples had a complete separation, and wine steamed and high-pressure wine steamed samples could be a category, indicating that the two processed products had a similar quality. Multiple chromatography including HPLC (C 18 )-PDA, HPLC (NH 2 )-ELSD, and HPGPC-ELSD was used for determining the molecular weight distributions, the monosaccharide compositions of polysaccharides, and the contents of free monosaccharides and oligosaccharides. The results indicated that the content and composition of saccharides were different in crude and different processed FC. The polysaccharides were composed of fucose, arabinose, galactose, glucose, galacturonic acid, mannose and rhamnose, and the free monosaccharides were composed of fucose, arabinose, galactose, glucose, mannose, rhamnose and fructose in all FC samples. The PCA score plots of the glycomics indicated that the crude and high-pressure wine steamed FC could be a category, showing that the two groups had similar chemical compositions. Ultimately, the simulation processing experiments indicated that the transformation of morroniside, polysaccharides, oligosaccharides, fructose, and glucose to 5-HMF through the reactions of dehydration and deglycosylation was the potential mechanism of enhancing the effects by processing. Conclusionly, the saccharides should be investigated as thoroughly as the secondary metabolites, and the high-pressure wine steamed FC could be an alternative to wine steamed FC.
研究领域:
药用植物学
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代谢组学
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食品科学
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中医药
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产品关联
DOI
高影响因子
Arabian Journal of Chemistry
·
2024
·
IF 5.3
Dong Xie,Guangfu Lv,Yuchen Wang,Wenjing Zhang,Nian Li,Yao Duan,Qing Huang,Ge Chen,Zifeng Pi,Hao Yue
Tenghuang Jiangu Wan (THJGW) is a commonly utilized treatment for osteoarthritis (OA), yet its pharmacodynamic material basis and molecular mechanism remain inadequately understood. This study systematically characterized the in vitro and in vivo chemical components of THJGW using ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). The pharmacodynamic material basis of THJGW in the treatment of OA was explored through a target network pharmacology approach and molecular docking technology. Cellular experiments were subsequently employed to validate the molecular mechanisms. Consequently, a total of 134 components from THJGW were identified in vitro , comprising 45 flavonoids, 10 iridoid glycosides, 39 phenylethanoid glycosides, 9 phenylpropanoids, 11 organic acids, 4 phenolics, and 16 other compounds. Additionally, 38 prototype absorbed components in serum were characterized for the purpose of network construction. 11 key components and 10 core targets (VEGFA, STAT3, RELA/NF-κB p65, PIK3R1, PIK3CA, MMP9, MMP1, IL-6, HDAC1, and FGF2) were determined by the target network pharmacology. Through Gene Ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis, it was found that these intersection targets are associated with various signaling pathways such as pathways in cancer, lipid and atherosclerosis, and prostate cancer. Notably, the lipid and atherosclerosis pathway was closely linked to OA. The molecular docking results demonstrated strong binding affinities of the three core targets: IL-6, STAT3, and RELA/NF-κB p65. These results suggest that these targets may play a significant role for THJGW in treating OA. In vitro experiments showed that THJGW had notable protective effects on LPS-induced RAW264.7 macrophages by reducing levels of TNF-α and IL-6, and inhibiting phosphorylation expression of STAT3 and NF-κB p65 proteins related to the lipid and atherosclerosis pathway. This study provides insight into the pharmacodynamic material basis and mechanism of action for THJGW in the treatment of OA, which provide scientific evidence for the scientific application and improvement of quality standards for THJGW.
研究领域:
药理学
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生物化学
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分子生物学
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中医药
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产品关联
DOI
高影响因子
RSC Advances
·
2026
·Vol. 16
·期 15
·13572-13584
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IF 6.1
Yirang Wang,Zhongquan Li,Jiahui Cheng,Tingyuan Zheng,Peijie Chen,Xiaojun Deng,Pei-chao Zhang,Bing Liu
5α Reductase inhibitors (finasteride and dutasteride) have been classified as monitored substances by the World Anti-Doping Agency (WADA) due to their potential abuse as masking agents for anabolic-androgenic steroids. As a member of the same class of inhibitors, epristeride shares a similar pharmacological mechanism of action and thus poses an inherent risk of abuse. However, current research on the metabolic characteristics of epristeride remains limited, which hinders its effective monitoring in anti-doping practices. In this study, a zebrafish model combined with liquid chromatography-quadrupole-time-of-flight mass spectrometry (LC-Q-TOF MS) was employed to systematically investigate the metabolic transformation of epristeride in vivo. Additionally, omics analysis was utilized to elucidate the effects of epristeride administration on endogenous metabolic pathways. A total of 11 epristeride metabolites were successfully identified, including 4 phase I metabolites and 7 phase II metabolites, primarily involving metabolic reactions such as oxidation, methylation, and glucuronide conjugation. Omics analysis revealed that N,N-dimethyldecylamine oxide (DDAO) with an AUC value of 0.80 could serve as a potential biomarker. Pathway enrichment analysis indicated that epristeride significantly perturbed purine metabolism and aromatic amino acid biosynthesis. These findings provide a more precise understanding of the metabolic fate of epristeride in organisms, offering a scientific basis for the development of accurate detection methods.
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DOI
PubMed
高影响因子
Pharmaceuticals
·
2026
·Vol. 19
·期 3
·470
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IF 5.7
Liying Wang,Yinuo Liu,Nali Chen,Shanshan Xiao,Shuang Yang,Zhihua Lv
Background:The visceral organs of sea cucumbers belonging to the family Stichopodidae, also known as Stichopodidae Viscus (SV), have been traditionally used for the management of gastrointestinal disorders. Experimental evidence has shown that the ethanol extract of SV (SVE) alleviates ulcerative colitis (UC) symptoms in a mouse model. However, the chemical constituents of SVE and the potential molecular targets mediating its effects in UC remain unclear.Methods:In this study, SVE was prepared fromApostichopus japonicus(Selenka). A reliable and sensitive strategy integrating advanced analytical and informatics tools was employed to profile the chemical components of SVE. Analyses were performed using ultra-performance liquid chromatography coupled with ion mobility spectrometry and quadrupole time-of-flight mass spectrometry operating in high-definition MSE(UPLC-IMS-Q-TOF-HDMSE), with data processed using the UNIFI scientific information system. Constituent identification relied on retention time (RT), accurate mass (MS1), experimentally acquired HDMSE(MS2) spectra, and collision cross-section (CCS). Metabolomics-based approaches were further applied to characterize the in vivo exposure profile of SVE components in mouse serum and colon tissue after oral administration. Subsequently, the putative bioactive constituents and their underlying mechanisms of action were investigated using network pharmacology and molecular docking.Results:Based on the integrated identification strategy, a total of 78 compounds, including saponins, phenolic acids, fatty acids, and amino acids, were annotated in SVE, among which 6 compounds were verified using authentic reference standards to ensure unambiguous identification. Subsequently, 35 features in serum and 24 in the colon were found to be significantly altered following a single oral dose of SVE in mice, and were defined as SVE-related differential constituents. After network pharmacology analyses, 129 shared targets were identified between potential targets of SVE-related components in serum and UC-related targets, including PIK3CA, EGFR, and AKT1. Functional enrichment analysis suggested that SVE might exert its effects in UC through modulation of key nodes within the PI3K-Akt and EGFR signaling pathways, as well as lipid- and atherosclerosis-related pathways. Molecular docking results further indicated moderate binding affinities of representative SVE-related differential components toward PIK3CA, AKT1, and EGFR.Conclusions:This study clarifies the chemical basis and potential UC-related mechanisms of SVE, providing a scientific rationale for the development of SV-derived therapeutic candidates for UC.
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PubMed
高影响因子
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