Analytical Techniques for Metabolomic Studies: A Review

Segers, Karen; Declerck, Sven; Mangelings, Debby; Heyden, Yvan Vander; Eeckhaut, Ann Van

doi:10.4155/bio-2019-0014

Cited by 159 publications

(104 citation statements)

References 164 publications

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“…ER h estimations provide insight into the oral bioavailability of drugs under consideration of Q h (Benet and Zia-Amirhosseini 1995). The calculated ER h was based on CL h values without f u and it could be classified as intermediate in both models in accordance to Rogge and Taft (2009). As expected, no significant differences between both models were found, because this is rather the case for high ER h drugs (Mehvar 2018).…”

Section: Discussionmentioning

confidence: 79%

“…The parallel tube model describes the liver as a set of tubes representing a sinusoid, with the drug concentration exponentially decreasing in the direction of the hepatic vein (Choi et al 2019). However, the liver is considered as a single, well-mixed compartment with a fixed drug concentration in the well-stirred model (Segers et al 2019). CL h values of Fu-BAP were identical in both models by considering f u .…”

Section: Discussionmentioning

confidence: 99%

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Toxicokinetics and toxicodynamics of the fentanyl homologs cyclopropanoyl-1-benzyl-4´-fluoro-4-anilinopiperidine and furanoyl-1-benzyl-4-anilinopiperidine

et al. 2020

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The two fentanyl homologs cyclopropanoyl-1-benzyl-4´-fluoro-4-anilinopiperidine (4F-Cy-BAP) and furanoyl-1-benzyl-4-anilinopiperidine (Fu-BAP) have recently been seized as new psychoactive substances (NPS) on the drugs of abuse market. As their toxicokinetic and toxicodynamic characteristics are completely unknown, this study focused on elucidating their in vitro metabolic stability in pooled human liver S9 fraction (pHLS9), their qualitative in vitro (pHLS9), and in vivo (zebrafish larvae) metabolism, and their in vitro isozyme mapping using recombinant expressed isoenzymes. Their maximum-tolerated concentration (MTC) in zebrafish larvae was studied from 0.01 to 100 µM. Their µ-opioid receptor (MOR) activity was analyzed in engineered human embryonic kidney (HEK) 293 T cells. In total, seven phase I and one phase II metabolites of 4F-Cy-BAP and 15 phase I and four phase II metabolites of Fu-BAP were tentatively identified by means of liquid chromatography high-resolution tandem mass spectrometry, with the majority detected in zebrafish larvae. N-Dealkylation, N-deacylation, hydroxylation, and N-oxidation were the most abundant metabolic reactions and the corresponding metabolites are expected to be promising analytical targets for toxicological analysis. Isozyme mapping revealed the main involvement of CYP3A4 in the phase I metabolism of 4F-Cy-BAP and in terms of Fu-BAP additionally CYP2D6. Therefore, drug-drug interactions by CYP3A4 inhibition may cause elevated drug levels and unwanted adverse effects. MTC experiments revealed malformations and changes in the behavior of larvae after exposure to 100 µM Fu-BAP. Both substances were only able to produce a weak activation of MOR and although toxic effects based on MOR activation seem unlikely, activity at other receptors cannot be excluded. Keywords In vitro and in vivo metabolism • Metabolic stability • LC-HRMS/MS • Zebrafish larvae • In vitro µ-opioid receptor activity Electronic supplementary material The online version of this article (

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Section: Discussionmentioning

confidence: 79%

Section: Discussionmentioning

confidence: 99%

Toxicokinetics and toxicodynamics of the fentanyl homologs cyclopropanoyl-1-benzyl-4´-fluoro-4-anilinopiperidine and furanoyl-1-benzyl-4-anilinopiperidine

et al. 2020

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“…Finally, stage I was characterized by proportionally large amount of leucine. Twenty-one VOCs, mostly amino acids and phenyl-containing constituents, allowed for discrimination between preoperative and postoperative states of patients and they are likely related to the metabolic changes resulting from the surgical operation [ 31 ].…”

Section: Studies On Colorectal Cancer Metabolic Biomarkersmentioning

confidence: 99%

“…The determination of urine specific gravity is an alternative for normalization of samples for metabolic investigations [ 64 ]. Most of the studied urine samples in this review were collected in the morning after overnight fasting [ 31 , 32 , 33 , 35 ]. Further information regarding detailed protocol of sampling was not provided.…”

Section: Studies On Colorectal Cancer Metabolic Biomarkersmentioning

confidence: 99%

A Review of GC-Based Analysis of Non-Invasive Biomarkers of Colorectal Cancer and Related Pathways

Monedeiro

Monedeiro-Milanowski

Ligor

et al. 2020

JCM

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Colorectal cancer (CRC) is the third most commonly diagnosed cancer in the world. In Europe, it is the second most common cause of cancer-related deaths. With the advent of metabolomics approaches, studies regarding the investigation of metabolite profiles related to CRC have been conducted, aiming to serve as a tool for early diagnosis. In order to provide further information about the current status of this field of research, 21 studies were systematically reviewed, regarding their main findings and analytical aspects. A special focus was given to the employment of matrices obtained non-invasively and the use of gas chromatography as the analytical platform. The relationship between the reported volatile and non-volatile biomarkers and CRC-related metabolic alterations was also explored, demonstrating that many of these metabolites are connected with biochemical pathways proven to be involved in carcinogenesis. The most commonly reported CRC indicators were hydrocarbons, aldehydes, amino acids and short-chain fatty acids. These potential biomarkers can be associated with both human and bacterial pathways and the analysis based on such species has the potential to be applied in the clinical practice as a low-cost screening method.

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“…Metabolomics is a newly developed subject after genomics, proteomics and transcriptomics. It can comprehensively assess the overview of endogenous metabolic changes in living systems and provide relevant information and valuable insights into physiological changes [10]. Metabolomics has developed rapidly in recent years and has been widely used in the eld of TCM research, providing new ideas and platforms for the study of complex theoretical systems of TCM [11,12].…”

Section: Introductionmentioning

confidence: 99%

1H-NMR Metabolomics Analysis of The Intervention Effects of Ruangan Xiaoji Decoction on CCl4 Induced Liver Fibrosis in Rats

Zhu

et al. 2020

Preprint

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Background: Liver fibrosis is a common consequence of chronic liver diseases resulting from multiple etiologies. Early clinical application shows that Ruangan Xiaoji Decoction (RGXJD) has a very obvious effect on the treatment of liver fibrosis. However, the mechanism of RGXJD cures liver fibrosis requires further elucidation.Methods: In this work, the therapeutic effect of RGXJD on CCl4-induced liver fibroses serum and liver tissue metabolite changes in rat was analyzed by 1H-NMR metabolomics. Meanwhile, histopathology examinations and serum clinical chemistry analysis verified the experimental results of metabolomics.Results: RGXJD treatment could reverse the increase in ALT and AST induced by CCl4 and attenuate the pathological changes in liver tissue. In the 1H-NMR metabolomic analysis, PLS-DA score plots demonstrated that the serum and liver tissue metabolic profiles in rats of the RGXJD groups were similar those of the control group, yet remarkably apart from the CCl4 group. The mechanism may be related to the endogenous metabolites including energy metabolism, amino acid metabolism, TCA cycle and purine metabolism in rats. Correlation analysis were then performed to further confirm the metabolites involved in Isoleucine, Tyrosine, UDP-Glucose, Glutathione and Leucine, etc.Conclusions: These findings may provided new insights into the mechanism of the hepatoprotection of RGXJD.

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Analytical Techniques for Metabolomic Studies: A Review

Cited by 159 publications

References 164 publications

Toxicokinetics and toxicodynamics of the fentanyl homologs cyclopropanoyl-1-benzyl-4´-fluoro-4-anilinopiperidine and furanoyl-1-benzyl-4-anilinopiperidine

Toxicokinetics and toxicodynamics of the fentanyl homologs cyclopropanoyl-1-benzyl-4´-fluoro-4-anilinopiperidine and furanoyl-1-benzyl-4-anilinopiperidine

A Review of GC-Based Analysis of Non-Invasive Biomarkers of Colorectal Cancer and Related Pathways

1H-NMR Metabolomics Analysis of The Intervention Effects of Ruangan Xiaoji Decoction on CCl4 Induced Liver Fibrosis in Rats

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