Integrated strategy for the screening of cyclooxygenase-2 inhibitors from triterpenoid saponins in Clematis tangutica.
Yangfei WeiTao ChenShuo WangCheng ShenZhibo SongAijing LiHongmei LiYulin LiPublished in: Phytochemical analysis : PCA (2023)
The integrated strategy using MR, HPLC-QTOFMS, molecular docking, chemometrics, target preparation, and in vitro verification was feasible for rapidly screening COX-2 inhibitors from TPSs in C. tangutica.
Keyphrases
- molecular docking
- molecular dynamics simulations
- ms ms
- simultaneous determination
- magnetic resonance
- mass spectrometry
- contrast enhanced
- nitric oxide
- magnetic resonance imaging
- high performance liquid chromatography
- computed tomography
- nitric oxide synthase
- gas chromatography mass spectrometry
- solid phase extraction
- tandem mass spectrometry