Characterization of in vitro metabolic profiles of cinitapride obtained with liver microsomes of humans and various mammal species using UHPLC and chemometric methods for data analysis

Marquez, Helena; Albertí, Joan; Salvà, Miquel; Saurina, Javier; Sentellas, Sònia

doi:10.1007/s00216-012-5795-z

Cited by 3 publications

(1 citation statement)

References 14 publications

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“…However, the assessment of metabolic changes in biological matrices is a complex task, and full scan chromatograms may result in an excellent source of high quality data to evaluate variations in the chemical composition in a comprehensive manner without losing statistically significant information. Nowadays, the most used strategy for data treatment relies on Principal Component Analysis (PCA), Partial Least Squares Discriminant Analysis (PLS-DA) and related methods (Marquez, Albertí, Salvà, Saurina, & Sentellas, 2012). Such chemometric methods allow noise filtering and the concentration of information into a reduced number of latent variables.…”

Section: Introductionmentioning

confidence: 99%

High-resolution mass spectrometry applied to the study of metabolome modifications in various chicken tissues after amoxicillin administration

et al. 2014

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The performance of high resolution accurate mass spectrometry (HRMS) operating in full scan MS mode was investigated for the quantitative determination of amoxicillin (AMX) as well as qualitative analysis of metabolomic profiles in tissues of medicated chickens. The metabolomic approach was exploited to compile analytical information on changes in the metabolome of muscle, kidney and liver from chickens subjected to a pharmacological program with AMX. Data consisting of m/z features taken throughout the entire chromatogram were extracted and filtered to be treated by Principal Component Analysis. As a result, it was found that medicated and non-treated animals were clearly clustered in distinct groups. Besides, the multivariate analysis revealed some relevant mass features contributing to this separation. In this context, recognizing those potential markers of each chicken class was a priority research for both metabolite identification and, obviously, evaluation of food quality and health effects associated to food consumption.

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Section: Introductionmentioning

confidence: 99%

High-resolution mass spectrometry applied to the study of metabolome modifications in various chicken tissues after amoxicillin administration

et al. 2014

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Voltammetric and electrogeneration approaches for the assessment of the oxidative drug metabolism

2018

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In this paper, electrochemical (EC) methods have been proposed to evaluate the oxidative behavior of drugs as rapid, simple, and cheap strategies to predict some metabolic features. Various commercial drugs belonging to different therapeutic families have been assayed to deal with a wide variety of biotransformations and to cover different metabolism extents. First, differential pulse voltammetry has been applied to evaluate the oxidative behavior of drugs. Voltammetric assays have demonstrated to be highly efficient to predict the metabolism extent from the current intensity data. The second objective of this work has been the comparison of metabolite profiles from both EC and in vitro methods based on liver microsome assays. The resulting samples have been analyzed by reversed-phase liquid chromatography mode using a core-shell column and UV detection. Chromatographic methods have been established for each particular drug and its metabolites using 0.1% (v/v) formic acid aqueous solution and methanol (MeOH) as the components of the mobile phase. Drug oxidation products from both EC- and microsome-based methodologies have been compared in terms of variety and percentage from the corresponding chromatographic profiles. In general, most of the metabolites occurring in vitro have also been reproduced in the EC runs. Besides, it has been found that compositional profiles from EC experiments are dependent on experimental variables such as pH and potential. In general, acid (pH 2) and basic (pH 10) conditions and too high potentials can contribute to the generation of oxidation artifacts which differ from metabolites while milder potentials and neutral pH values may reproduce more accurately the microsome patterns. The proposed methodology is suitable for a first study of the oxidative behavior of molecules that can be related to relevant metabolic properties. The obtained information could be of great interest to prioritize or discard compounds, as a first screening, on the research of drug candidates.

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Coupling ultra-high-pressure liquid chromatography with mass spectrometry for in-vitro drug-metabolism studies

Spaggiari

Geiser

Rudaz

2014

TrAC Trends in Analytical Chemistry

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Characterization of in vitro metabolic profiles of cinitapride obtained with liver microsomes of humans and various mammal species using UHPLC and chemometric methods for data analysis

Cited by 3 publications

References 14 publications

High-resolution mass spectrometry applied to the study of metabolome modifications in various chicken tissues after amoxicillin administration

High-resolution mass spectrometry applied to the study of metabolome modifications in various chicken tissues after amoxicillin administration

Voltammetric and electrogeneration approaches for the assessment of the oxidative drug metabolism

Coupling ultra-high-pressure liquid chromatography with mass spectrometry for in-vitro drug-metabolism studies

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