دورية أكاديمية
أعرض في EDS

Rapid investigating of phase I metabolites of SR9009 in vitro horse liver microsomes via feature-based molecular networking approach: Potential applications in doping control.

التفاصيل البيبلوغرافية
العنوان: Rapid investigating of phase I metabolites of SR9009 in vitro horse liver microsomes via feature-based molecular networking approach: Potential applications in doping control.
المؤلفون: Kwak YB; Racing Laboratory, Korea Racing Authority, Jeju, Republic of Korea., Yoon J; Equine Clinic, Korea Racing Authority, Jeju, Republic of Korea., Yoo HH; Pharmacomicrobiomics Research Center and College of Pharmacy, Hanyang University, Ansan, Republic of Korea. Electronic address: yoohh@hanyang.ac.kr.
المصدر: Journal of pharmaceutical and biomedical analysis [J Pharm Biomed Anal] 2024 Aug 15; Vol. 246, pp. 116190. Date of Electronic Publication: 2024 Apr 30.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Elsevier Science Country of Publication: England NLM ID: 8309336 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-264X (Electronic) Linking ISSN: 07317085 NLM ISO Abbreviation: J Pharm Biomed Anal Subsets: MEDLINE
أسماء مطبوعة: Publication: <2006->: London : Elsevier Science
Original Publication: Oxford ; New York : Pergamon Press, c1983-
مواضيع طبية MeSH: Doping in Sports*/prevention & control , Doping in Sports*/methods , Microsomes, Liver*/metabolism, Horses ; Animals ; Metabolic Networks and Pathways ; Substance Abuse Detection/methods ; Tandem Mass Spectrometry/methods
مستخلص: SR9009, a peroxisome proliferator-activated receptor δ (PPARδ) agonist, is known for its potential benefits in energy homeostasis. It failed to receive the United States Food and Drug Administration (USFDA) approval and its illegal distribution has raised concerns. As a result, it has been classified as a prohibited substance by the World Anti-Doping Agency and the International Federation of Horseracing Authorities (IFHA). This study emphasizes the application of the in-silico molecular networking technology to analyze phase I drug metabolites in horses, distinguishing it from conventional methodologies in forensic science. Feature-based molecular networking (FBMN) analysis identified 15 metabolites, with novel major N-dealkylated metabolite (-C 8 H 7 NO 4 S), indicative of diverse metabolic modifications in horse liver microsomes incubation assay. Additionally, a proposed metabolic pathway of SR9009 in the in vitro assay was outlined, including the previously known dehydroxylated metabolite. Finally, the metabolic pathways included in this study were as follows: hydroxylation, dehydrogenation, N-dealkylation dihydroxylation, and combinations. Molecular networking provided insights into MS spectra connectivity, facilitating rapid interpretation and accurate detection of previously undiscovered metabolites. In conclusion, this study contributes to the understanding of SR9009 metabolism in horses and underscores the importance of advanced analytical techniques, such as molecular networking, in enhancing the accuracy and efficiency of metabolite analysis for forensic and doping control purposes.
Competing Interests: Declaration of Competing Interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Hye hyun yoo reports financial support was provided by National Research Foundation of Korea. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024 Elsevier B.V. All rights reserved.)
فهرسة مساهمة: Keywords: Doping control; Equine; Feature-based molecular networking; In vitro metabolism; SR9009
تواريخ الأحداث: Date Created: 20240512 Date Completed: 20240609 Latest Revision: 20240609
رمز التحديث: 20240610
DOI: 10.1016/j.jpba.2024.116190
PMID: 38735208
قاعدة البيانات: MEDLINE
الوصف
تدمد:1873-264X
DOI:10.1016/j.jpba.2024.116190