Identification of Candidate Biomarkers Detected in the Urine of Racehorses After Anabolic Agent Administration: Use of Orthogonal Methods for Structural Elucidation.

IF 2.7 3区 医学 Q2 BIOCHEMICAL RESEARCH METHODS
C Cloteau, V Delcourt, B Loup, B Chabot, M Pescher, E Susdorf, Z Kaabia, P Garcia, M A Popot, B Le Bizec, G Dervilly, L Bailly-Chouriberry
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引用次数: 0

Abstract

Biomarker identification by mass spectrometry represents a key step in the workflow of nontargeted metabolomic studies. Given the complexity of the data, this step, which must be carried out by a trained specialist, is time-consuming, and the biomarkers discovered are not always identified. While this stage is not an obstacle to the development of new screening and classification tools, it is nonetheless crucial to a better understanding of the results obtained. For this reason, the aim of this study was to perform structural elucidation of candidate biomarkers, which had previously been displayed to screen for the administration of anabolic agents in the urine of racehorses and whose robustness had been evaluated. The present study involved a combination of various analytical strategies, including enzymatic hydrolysis, high-resolution mass spectrometry and ion mobility (LC-HRMS, LC-IMS-HRMS), and in vitro experiments. Two candidate biomarkers were identified as phase II metabolites of tebuconazole, belonging to the equine exposome. This identification opens the way to further investigations into the relationship between the presence of this compound and its disruption in horse urine following anabolic agent administration. Overall, the use of orthogonal approaches provided better complementary information on the structure of the compound and ultimately enabled us to identify biomarkers with the highest possible level of confidence.

使用合成代谢剂后赛马尿液中检测到的候选生物标志物的鉴定:使用正交方法进行结构解析。
质谱法鉴定生物标志物是非靶向代谢组学研究工作流程中的关键步骤。考虑到数据的复杂性,这一步必须由训练有素的专家来执行,这很耗时,而且发现的生物标记物并不总是被识别出来。虽然这一阶段不是开发新的筛选和分类工具的障碍,但它对于更好地理解所获得的结果至关重要。出于这个原因,本研究的目的是对候选生物标志物进行结构解析,这些生物标志物之前被用于筛选赛马尿液中合成代谢药物的施用,并对其稳健性进行了评估。本研究涉及多种分析策略的组合,包括酶水解,高分辨率质谱和离子迁移率(LC-HRMS, LC-IMS-HRMS),以及体外实验。两个候选生物标志物被鉴定为替布康唑的II期代谢物,属于马暴露体。这一鉴定为进一步调查这种化合物的存在及其在马尿液中受合成代谢剂影响之间的关系开辟了道路。总的来说,使用正交方法提供了化合物结构的更好的互补信息,并最终使我们能够以最高的置信度鉴定生物标志物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Drug Testing and Analysis
Drug Testing and Analysis BIOCHEMICAL RESEARCH METHODS-CHEMISTRY, ANALYTICAL
CiteScore
5.90
自引率
24.10%
发文量
191
审稿时长
2.3 months
期刊介绍: As the incidence of drugs escalates in 21st century living, their detection and analysis have become increasingly important. Sport, the workplace, crime investigation, homeland security, the pharmaceutical industry and the environment are just some of the high profile arenas in which analytical testing has provided an important investigative tool for uncovering the presence of extraneous substances. In addition to the usual publishing fare of primary research articles, case reports and letters, Drug Testing and Analysis offers a unique combination of; ‘How to’ material such as ‘Tutorials’ and ‘Reviews’, Speculative pieces (‘Commentaries’ and ‘Perspectives'', providing a broader scientific and social context to the aspects of analytical testing), ‘Annual banned substance reviews’ (delivering a critical evaluation of the methods used in the characterization of established and newly outlawed compounds). Rather than focus on the application of a single technique, Drug Testing and Analysis employs a unique multidisciplinary approach to the field of controversial compound determination. Papers discussing chromatography, mass spectrometry, immunological approaches, 1D/2D gel electrophoresis, to name just a few select methods, are welcomed where their application is related to any of the six key topics listed below.
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