Investigating the in vivo effect of Tribulus terrestris extract in middle cerebral artery occlusion rats using LC-MS-based metabolomics combined with molecular docking.
Tribulus terrestris extract
UHPLC-Q-Orbitrap MS
metabolomics
middle cerebral artery occlusion
molecular docking
Journal
Biomedical chromatography : BMC
ISSN: 1099-0801
Titre abrégé: Biomed Chromatogr
Pays: England
ID NLM: 8610241
Informations de publication
Date de publication:
Jun 2023
Jun 2023
Historique:
revised:
18
02
2023
received:
20
12
2022
accepted:
02
03
2023
medline:
16
5
2023
pubmed:
9
3
2023
entrez:
8
3
2023
Statut:
ppublish
Résumé
Tribulus terrestris L. fruit (TT) is a traditional Chinese herbal medicine used to treat ischemic stroke (IS). This study aimed to investigate the protective effect of TT extract, named TT15, on middle cerebral artery occlusion (MCAO) rats using metabolomics and molecular docking and find the targets of action and the material basis of TT15 against IS. The results of the infarct volume and neurological defect scores confirmed the efficacy of TT15. Serum metabolomics analysis using LC-MS revealed that model group animals experienced a variety of metabolic disturbances when compared to the sham group. TT15 can restore the MCAO-induced serum metabolite changes by modulating multiple metabolic pathways. Six enzymes were highlighted by the metabolite-reaction-enzyme-gene (M-R-E-G) network analysis, which might be the possible targets for the TT15 against IS. Molecular docking analysis was applied to show the binding affinities between active compounds and these enzymes. The representative docking mode with the lowest binding energy between three compounds and phospholipase A 2 (PLA2) and peroxidase (POD) was displayed by the ribbon binding map. This study profiles the metabolic changes in MCAO-induced IS and investigates the efficacy and the corresponding mechanism of TT15 in the treatment of IS.
Substances chimiques
Tribulus extract
4X4HLN92OT
Drugs, Chinese Herbal
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e5614Subventions
Organisme : Department of Science and Technology of Jilin Province
ID : YDZJ202201ZYTS230
Informations de copyright
© 2023 John Wiley & Sons Ltd.
Références
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