Compounds with matching scores ≥40 from database searching were retained. Features obtained in positive and negative ion modes were merged and deduplicated. The total relative peak area of all metabolites was normalized to 100% to generate the final qualitative and quantitative data matrix, which contained all analyzable information extracted from raw data and served as the foundation for subsequent analyses.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["The analytical instrument employed in this study was an LC-MS system consisting of ACQUITY UPLC I-Class HF ultra-high-performance liquid chromatography coupled with QE high-resolution mass spectrometer.
Chromatographic conditionsColumn: ACQUITY UPLC HSS T3 (100 mm×2.1 mm, 1.8 μm);Column temperature: 45 ℃;Mobile phase: A, water containing 0.1% formic acid; B, acetonitrile;Flow rate: 0.35 mL/min;Injection volume: 2 μL.
Take out samples and homogenize thoroughly, transfer 100 μL aliquot into a 1.5 mL centrifuge tube.Add 900 μL 70% aqueous methanol containing mixed internal standard (2 μg/mL), vortex for 1 min.Perform ultrasonic extraction in ice-water bath for 60 min.Centrifuge at 12000 rpm and 4 ℃ for 10 min.Dilute the supernatant 10-fold with 70% aqueous methanol (2 μg/mL mixed internal standard), then transfer 200 μL supernatant into an LC-MS vial with insert for subsequent analysis.
"],"organism":["mixed plant material"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14689"],"author":["Tingting Yu. Nanjing Normal University. yt15053674225@163.com."],"data_transformation_protocol":["Prior to pattern recognition, raw data were subjected to baseline filtering, peak picking, peak integration, retention time calibration, peak alignment and normalization using metabolomics software XCMS v4.5.1. Compound identification was accomplished via accurate mass, MS² fragmentation patterns and isotope distribution with the in-house TCM database for qualitative analysis.
"],"study_factor":["Replicate"],"submitter_email":["yt15053674225@163.com"],"sample_collection_protocol":["Weigh Artemisiae Scopariae Herba, Gardeniae Fructus and Rhei Radix et Rhizoma according to prescription proportion and prepare YCHD stock solution by water decoction. Concentrate the decoction under reduced pressure and lyophilize to obtain dry extract. Suspend extract with methanol and extract ultrasonically for 30 min using an ultrasonic cleaner. Centrifuge at 12000 rpm, filter supernatant via organic membrane. Aliquot into test samples, pooled QC samples, 70% methanol blank and single standard working solutions for subsequent UPLC-QE-MS analysis.
"],"omics_type":["Metabolomics"],"study_design":["ultra-performance liquid chromatography-mass spectrometry","Metabolomics","mixed plant material","untargeted analysis","Waters ACQUITY UPLC I-Class System","Whole aerial part of Artemisia capillaris, fruit of Gardenia jasminoides, root and rhizome of Rheum officinale","Thermo Scientific Q Exactive HF","Traditional Chinese","experimental sample","untargeted metabolite profiling"],"curator_keywords":["ultra-performance liquid chromatography-mass spectrometry","Metabolomics","mixed plant material","untargeted analysis","Waters ACQUITY UPLC I-Class System","Whole aerial part of Artemisia capillaris, fruit of Gardenia jasminoides, root and rhizome of Rheum officinale","Thermo Scientific Q Exactive HF","Traditional Chinese","experimental sample","untargeted metabolite profiling"],"mass_spectrometry_protocol":["The mass range was from m/z 100 to 1,500. The Collision energy was set at 10, 20 and 40 eV. The mass spectrometer operated as follows: spray voltage, 3800 V (+) and 3200 V (−); sheath gas flow rate, 35 arbitrary units; auxiliary gas flow rate, 8 arbitrary units; capillary temperature, 320°C; Aux gas heater temperature, 350°C; S-lens RF level, 50.
"],"additional_accession":[]},"is_claimable":false,"name":"Yinchenhao Decoction ameliorates high-fat diet-induced lipid metabolism disorder","description":"In this study, a HFD-induced lipid metabolism disorder model was established in C57BL/6 mice in vivo, and a palmitic acid (PA)-induced hepatocyte lipid accumulation model was constructed in HepG2 cells in vitro. Using component identification, network pharmacology, transcriptome sequencing, molecular docking, and in vivo and in vitro molecular biological verification, we systematically screened the core active components of YCHD and elucidated its regulatory mechanism via the P53/STAT3-CIDEC signaling pathway. In vivo animal experiments showed that YCHD significantly inhibited abnormal weight gain, improved glucose tolerance and insulin resistance, and reduced total cholesterol (TC) and triglyceride (TG) levels in serum and liver tissues of HFD-fed mice. HE staining and Oil Red O staining confirmed that YCHD markedly alleviated hepatocyte steatosis and lipid deposition without obvious toxicity to major organs, indicating favorable safety. UPLC-MS/MS qualitatively and quantitatively analyzed the components of YCHD. A component-disease-target network was constructed, and combined with PPI and transcriptomic analysis, epiberberine, emodin, and magnoflorine were identified as core active components, with P53 and STAT3 as key targets. Transcriptome sequencing identified numerous differentially expressed genes related to lipid metabolism and inflammation, among which CIDEC was significantly altered. Further enrichment analysis and literature review verified that P53/STAT3 was enriched in lipid metabolism and inflammatory signaling pathways. Western blotting indicated that P53/STAT3 might regulate lipid metabolism disorders by modulating CIDEC expression. YCHD significantly downregulated the phosphorylation of P53 and STAT3 and inhibited the abnormal expression of CIDEC, verifying its ameliorative effect on HFD-induced lipid metabolism disorders. In vitro cell experiments demonstrated that epiberberine, emodin, and magnoflorine effectively reduced TC and TG levels and lipid accumulation in PA-treated HepG2 cells at safe concentrations. Western blotting and qPCR confirmed that all three components downregulated the phosphorylation of P53 and STAT3 and suppressed CIDEC expression. Molecular docking revealed strong binding activity between the three components and STAT3, verifying the targeted interaction at the molecular level. In conclusion, this study identifies epiberberine, emodin, and magnoflorine as the core active components of YCHD against lipid metabolism disorders. YCHD exerts its therapeutic effects by inhibiting the phosphorylation of P53 and STAT3, downregulating CIDEC expression, and reducing hepatocyte lipid accumulation, thereby alleviating HFD-induced obesity, insulin resistance, and hepatic steatosis. This study reveals the multi-component and multi-target mechanism of YCHD at animal, cellular, and molecular levels, providing experimental and theoretical support for the modern interpretation, clinical application, and development of natural lipid-lowering agents of classic TCM formulas. Limitations include insufficient exploration of the synergistic compatibility of the three components and the use of only HepG2 cells in vitro. Future studies can employ primary hepatocytes and gene knockout models to further clarify upstream/downstream regulation and the gut-liver axis mechanism.
","dates":{"publication":"2027-06-26","submission":"2026-06-06"},"accession":"MTBLS14689","cross_references":{}}