Comparison of authentic urine N-ethylpentedrone metabolites to predicted in silico and in vitro human hepatocyte metabolism
Gloria Daziani, Omayema Taoussi, Diletta Berardinelli, Giulia Bambagiotti, Marilyn A. Huestis, Francesco Paolo Busardò, Jérémy Carlier
Topics & Concepts
ChemistryGlucuronidationIn silicoUrineMetaboliteIn vitroIn vivoMetabolic pathwayHepatocyteMetabolismMetabolomicsBiochemistryDrug metabolismGlutathionePharmacologyChromatographyMercapturic acidCYP2C8GlucuronideMicrosomeS9 fractionMass spectrometryTandem mass spectrometryQuantitative analysis (chemistry)Liquid chromatography–mass spectrometryHigh-performance liquid chromatographyDesigner drugMetabolism and Genetic DisordersLiver Disease Diagnosis and Treatment