A DAS 3.0 software was used for non-compartmental analysis to calculate pharmacokinetic parameters, and the results were expressed as mean ± standard deviation (mean ± SD). The serum biochemical indicators and major pharmacokinetic parameters between the model group and the control group were analyzed using SPSS 20.0 software, in which t-test was used for independent samples, and p < 0.05 indicated a statistical significance. Enzymatic kinetic parameters were analyzed using GraphPad Prism 8. Metabolites were identified and analyzed using Compound Discoverer 3.3, Mass Frontier 8.0, and SIMCA 14.1.
"],"disease":[""],"extraction_protocol":["Two hundred μL of the serum sample were added with twice the volume of methanol, then the serum-ethanol solution was mixed by vortex for 30 seconds, and centrifuged at 13000 r/min for 5 minutes to obtain the supernatant. The supernatant was transferred to a new EP tube and concentrated in a nitrogen dryer until dry, then added with 1.5 mL of methanol for redissolving, and the redissolved sample solution was mixed by vortex for 30 seconds. The sample solution was filtered through a 0.45 μm filter membrane. The filtrate was placed in a sample bottle, and the bottle was kept at 4 ℃ for use. One gram of mouse liver tissue was washed with pre-cooled normal saline, and the saline on it surface was absorbed dry with a piece of filter paper. The liver tissue was prepared into its homogenate by adding 4 mL of normal saline in ice bath, and the subsequent preparation was the same as that of serum samples.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13232"],"data_transformation_protocol":["A DAS 3.0 software was used for non-compartmental analysis to calculate pharmacokinetic parameters, and the results were expressed as mean ± standard deviation (mean ± SD). The serum biochemical indicators and major pharmacokinetic parameters between the model group and the control group were analyzed using SPSS 20.0 software, in which t-test was used for independent samples, and p < 0.05 indicated a statistical significance. Enzymatic kinetic parameters were analyzed using GraphPad Prism 8. Metabolites were identified and analyzed using Compound Discoverer 3.3, Mass Frontier 8.0, and SIMCA 14.1.
"],"study_factor":["Treatment"],"submitter_email":["m18831442942@163.com"],"sample_collection_protocol":["The remaining mice in the control group and model group were given carboxymethyl cellulose sodium solution containing STB (5 mg/kg) by gavage. At 9 time points (0.5, 1.0, 1.5, 2.0, 3.0, 4.0, 8.0, 12.0, 24.0 h) after administration, 3 mice were taken from each group, and their serum and liver tissue were collected.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"omics_type":["Metabolomics"],"instrument_platform":["Liquid Chromatography MS - positive - reverse phase"],"study_design":["schisantherin B","Cytochrome P450","untargeted metabolites","pharmacokinetic"],"chromatography_protocol":["An Ultimate 3000 ultra-high performance liquid chromatography system (Thermo, San Jose, USA) combined with a Supelco C18 column (3.0 ×50 mm, 2.7 μm, Sigma-Aldrich, USA) were applied in the chromatographic separation. The column temperature was maintained at 35 ℃, and mobile phase A was acetonitrile and B was water, and both of them contained 0.1% formic acid,the injection volume was 5 μL, and the flow rate was 0.4 mL/min.
"],"publication":["Metabolic Characteristics of Schisantherin B in Mice with Metabolic-Associated Fatty Liver Disease."],"curator_keywords":["schisantherin B","Cytochrome P450","untargeted metabolites","pharmacokinetic"],"submitter_affiliation":["beihua"],"submitter_name":["feilong Liu"],"mass_spectrometry_protocol":["A Q-Orbitrap MS/MS system (Thermo, San Jose, USA) equipped with an electric spray ion source (positive ion mode) was used in for the mass spectrometry detection. Ion source parameters: the sheath gas flow rate was 40 Arb, the auxiliary gas flow rate was 10 Arb, the purge gas flow rate was 1 Arb, the capillary voltage was +4.0 kV, and the capillary temperature was 350 ℃. Full scan mass spectrometry conditions: central cutting mode, resolution of 70000, scanning range m/z 150-2000 Da; The automatic gain control (AGC) target value was 1×1000000, with a maximum injection time of 100 ms. Full MS/ddMS2 mode was adopted in the secondary mass spectrometry: the resolution was 17500, the AGC target value was 1×100000, the maximum injection time was 50 ms, and the normalized collision energy (NCE) was 25-45 eV. The chromatographic parameters of the probe substrates are shown in Table 4.
"],"additional_accession":[]},"is_claimable":false,"name":"Metabolic Characteristics of Schisantherin B in Mice with Metabolic-Associated Fatty Liver Disease","description":"Objectives: To observe the pharmacokinetic differences of schisantherin B (STB) in the blood and liver of normal and metabolic-associated fatty liver disease (MAFLD) mice, as well as the changes in CYP450 enzymes in MAFLD mice. Methods: A MAFLD model was established in C57 mice fed with a high-fat diet. Blood and liver samples from mice administered STB (5 mg/kg) were analyzed by high-performance liquid chromatography-electrospray tandem mass spectrometry (HPLC-ESI-MS) to identify major metabolites of STB and assess the activity of CYP450 enzymes. Pharmacokinetic parameters were calculated using DAS 3.0 software. The cocktail assay method was employed to determine CYP450 enzyme activity in hepatocytes in vitro. Results: The activities of CYP1A2, CYP2B6, CYP2C9, and CYP3A4 were significantly decreased, while the CYP2E1 activity was significantly increased in MAFLD hepatocyte model. In vitro liver microsomal experiments revealed that STB was primarily metabolized by CYP3A4 and CYP2C9. Compared to normal mice, STB in the liver tissue of MAFLD mice showed a significantly reduced area under the curve (AUC) and peak concentration (Cmax), prolonged half-life (t1/2), decreased mean retention time (MRT), and increased clearance (CL). In contrast, the AUC, Cmax, and t1/2 of STB in the serum of MAFLD mice were significantly increased, while the CL was decreased. Conclusions: Changes in the activity of liver microsomal enzymes following fatty liver injuries in MAFLD mice may lead to pharmacokinetic differences in STB, thereby affecting its metabolism in the liver.
","dates":{"publication":"2025-10-29","submission":"2025-10-29"},"accession":"MTBLS13232","cross_references":{}}