Identifying the active compounds and mechanism of action of TongFu XieXia Decoction for treating intestinal obstruction using network pharmacology combined with ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometry.
Liting MaYongxi WuJing LuoFangtong LiMeiyu ZhangYongyu CaiYulin DaiZifeng PiFei ZhengHao YuePublished in: Rapid communications in mass spectrometry : RCM (2023)
Molecular docking studies substantiated the substantial affinity between the TFXXD bioactive constituents and their corresponding targets in the context of IO. TFXXD exerts its therapeutic efficacy in IO through a multifaceted interplay between multiple compounds, targets, and pathways. The integration of network pharmacology with UPLC-Q-Orbitrap-MS/MS has emerged as a promising strategy to unravel the intricate web of molecular interactions underlying herbal medicine. However, it is imperative to emphasize the necessity for further in vivo and in vitro experiments.
Keyphrases
- ultra high performance liquid chromatography
- tandem mass spectrometry
- liquid chromatography
- molecular docking
- simultaneous determination
- mass spectrometry
- high resolution mass spectrometry
- high performance liquid chromatography
- gas chromatography
- liquid chromatography tandem mass spectrometry
- ms ms
- solid phase extraction
- capillary electrophoresis
- high resolution
- molecular dynamics simulations
- network analysis