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","croIdentifier":"isorhynchophylline-cyp3A4-activity-1","comment":null,"experimentalConditionsComment":"Midazolam was utilized as a substrate for CYP3A4 activity assay (Olsen et al., 2016). Briefly, ~250,000 DPX2 cells were seeded on a 24-well plate and cultured for 24 h. After treatment with herbal extracts or chemicals for another 24 h, cells were washed with PBS. Midazolam (50 µM) in fresh medium was added and incubated for 2 h. Afterward, 100 µl medium was collected from each well, and mixed with 100 µl cold acetonitrile. The mixtures were centrifuged at 13,000 rpm for 15 min, and the supernatant was collected for analysis of 1'- OH-MDZ, a CYP3A4-mediated metabolite of midazolam.","resultsComment":null,"internalComment":null,"objectCompoundId":26,"objectMetaboliteCompoundId":1,"precipitantCompoundId":372,"cytochromeB5Id":null,"studyId":831,"experimentTypeId":2,"testSystemId":47,"ic50ShiftExperimentId":null,"controlDataExperimentId":null,"controlDataForExperimentId":null,"naturalProductSampleId":null,"experimentType":{"id":2,"name":"In Vitro Enzyme Induction","isInVitro":true,"isTransporter":false,"isEnzyme":true,"purl":"http://purl.obolibrary.org/obo/DIDEO_00005000"},"objectCompound":{"id":26,"name":"midazolam","unii":"R60L0SM5BC","inChIKey":"DDLIGBOFAVUZHB-UHFFFAOYSA-N","publicDescription":null,"internalComment":null,"conceptId":708298,"enantiomerOfId":null},"precipitantCompound":{"id":372,"name":"isorhynchophylline","unii":null,"inChIKey":"DAXYUDFNWXHGBE-VKCGGMIFSA-N","publicDescription":null,"internalComment":null,"conceptId":null,"enantiomerOfId":null},"objectMetaboliteCompound":{"id":1,"name":"1'-hydroxymidazolam","unii":null,"inChIKey":"QHSMEGADRFZVNE-UHFFFAOYSA-N","publicDescription":null,"internalComment":null,"conceptId":null,"enantiomerOfId":null},"enzymes":[{"id":13,"name":"CYP3A4","conceptId":4306811,"experiment_enzyme_xref":{"enzymeId":13,"experimentId":1410}}],"transporters":[],"quantifiedMetabolites":[]},{"id":1411,"uid":"NPDI-D-IVFw","name":"Corynoxeine on CYP3A4 Activity","overallEffect":1,"isControlData":false,"isIc50Shift":false,"croCutoff":"Not available
","croIdentifier":"corynoxeine-cyp3A4-activity-1","comment":null,"experimentalConditionsComment":"Midazolam was utilized as a substrate for CYP3A4 activity assay (Olsen et al., 2016). Briefly, ~250,000 DPX2 cells were seeded on a 24-well plate and cultured for 24 h. After treatment with herbal extracts or chemicals for another 24 h, cells were washed with PBS. Midazolam (50 µM) in fresh medium was added and incubated for 2 h. Afterward, 100 µl medium was collected from each well, and mixed with 100 µl cold acetonitrile. The mixtures were centrifuged at 13,000 rpm for 15 min, and the supernatant was collected for analysis of 1'- OH-MDZ, a CYP3A4-mediated metabolite of midazolam.","resultsComment":null,"internalComment":null,"objectCompoundId":26,"objectMetaboliteCompoundId":1,"precipitantCompoundId":373,"cytochromeB5Id":null,"studyId":831,"experimentTypeId":2,"testSystemId":47,"ic50ShiftExperimentId":null,"controlDataExperimentId":null,"controlDataForExperimentId":null,"naturalProductSampleId":null,"experimentType":{"id":2,"name":"In Vitro Enzyme Induction","isInVitro":true,"isTransporter":false,"isEnzyme":true,"purl":"http://purl.obolibrary.org/obo/DIDEO_00005000"},"objectCompound":{"id":26,"name":"midazolam","unii":"R60L0SM5BC","inChIKey":"DDLIGBOFAVUZHB-UHFFFAOYSA-N","publicDescription":null,"internalComment":null,"conceptId":708298,"enantiomerOfId":null},"precipitantCompound":{"id":373,"name":"corynoxeine","unii":null,"inChIKey":"MUVGVMUWMAGNSY-KAXDATADSA-N","publicDescription":null,"internalComment":null,"conceptId":null,"enantiomerOfId":null},"objectMetaboliteCompound":{"id":1,"name":"1'-hydroxymidazolam","unii":null,"inChIKey":"QHSMEGADRFZVNE-UHFFFAOYSA-N","publicDescription":null,"internalComment":null,"conceptId":null,"enantiomerOfId":null},"enzymes":[{"id":13,"name":"CYP3A4","conceptId":4306811,"experiment_enzyme_xref":{"enzymeId":13,"experimentId":1411}}],"transporters":[],"quantifiedMetabolites":[]},{"id":1390,"uid":"NPDI-NH3c6A","name":"Metabolomic Profiling of Gou Teng Extracts","overallEffect":0,"isControlData":false,"isIc50Shift":false,"croCutoff":null,"croIdentifier":null,"comment":null,"experimentalConditionsComment":"The chemical profiling of Gou Teng extracts was conducted using ultra-performance liquid chromatography and quadrupole time-of-flight mass spectrometry (UPLC-QTOFMS, Waters, Milford, MA). An UPLC BEH C-18 column was utilized for chemical separation. The mobile phase was aqueous acetonitrile containing 0.1% formic acid and was delivered in a gradient elution from 2% to 98% acetonitrile. QTOFMS was performed in a positive mode. 1'-OH-MDZ was also analyzed by UPLC-QTOFMS using the same column. The UPLC-QTOFMS data for herbal extracts were collected using MassLynx 4.1 (Waters Corp., Milford, MA) and further analyzed by orthogonal partial least-squares discriminant analysis using SIMCA-P (Umetrics, Kinnelon, NJ).","resultsComment":null,"internalComment":null,"objectCompoundId":null,"objectMetaboliteCompoundId":null,"precipitantCompoundId":null,"cytochromeB5Id":null,"studyId":831,"experimentTypeId":10,"testSystemId":null,"ic50ShiftExperimentId":null,"controlDataExperimentId":null,"controlDataForExperimentId":null,"naturalProductSampleId":null,"experimentType":{"id":10,"name":"Characterization of Material","isInVitro":false,"isTransporter":false,"isEnzyme":false,"purl":"http://purl.obolibrary.org/obo/DIDEO_00005004"},"objectCompound":null,"precipitantCompound":null,"objectMetaboliteCompound":null,"enzymes":[],"transporters":[],"quantifiedMetabolites":[]}]}]