UPLC/Q-TOF-MS-based metabolomics and molecular docking analysis of Bifidobacterium adolescentis exposure to levofloxacin.
Shisui FengYue GuoQianyi WangMingwei MengXi LiuChi ZhangHua ZhengHongwei GuoRigang LuDanfeng LiZhi-Heng SuHui SongYonghong LiangPublished in: Biomedical chromatography : BMC (2024)
Antibiotic-associated diarrhea is a common adverse reaction caused by the widespread use of antibiotics. The decrease in probiotics is one of the reasons why antibiotics cause drug-induced diarrhea. However, few studies have addressed the intrinsic mechanism of antibiotics inhibiting probiotics. To investigate the underlying mechanism of levofloxacin against Bifidobacterium adolescentis, we used a metabolomics mass spectrometry-based approach and molecular docking analysis for a levofloxacin-induced B. adolescentis injury model. The results showed that levofloxacin reduced the survival rate of B. adolescentis and decreased the number of B. adolescentis. The untargeted metabolomics analysis identified 27 potential biomarkers, and many of these metabolites are involved in energy metabolism, amino acid metabolism and the lipid metabolism pathway. Molecular docking showed that levofloxacin can bind with aminoacyl-tRNA synthetase and lactic acid dehydrogenase. This result provides a novel insight into the mechanism of the adverse reactions of levofloxacin.
Keyphrases
- molecular docking
- mass spectrometry
- drug induced
- molecular dynamics simulations
- liver injury
- liquid chromatography
- lactic acid
- amino acid
- gas chromatography
- high resolution
- high performance liquid chromatography
- emergency department
- signaling pathway
- irritable bowel syndrome
- clostridium difficile
- simultaneous determination
- oxidative stress
- diabetic rats