The Triterpenoids from Munronia pinnata and Their Anti-Proliferative Effects.
Xuerong YangPeiyuan LiuYulu WeiJingru SongXiaojie YanXiaohua JiangJianxing LiXiangqin LiDianpeng LiFenglai LuPublished in: Molecules (Basel, Switzerland) (2023)
Six new tirucallane-type triterpenoids, named munropenes A-F ( 1 - 6 ), were extracted from the whole plants of Munronia pinnata using a water extraction method. Their chemical structures were determined based on detailed spectroscopic data. The relative configurations of the acyclic structures at C-17 of munropenes A-F ( 1 - 6 ) were established using carbon-proton spin-coupling constants ( 2,3 J C,H ) and inter-proton spin-coupling constants ( 3 J H,H ). Furthermore, the absolute configurations of munropenes A-F ( 1 - 6 ) were determined through high-performance liquid chromatography (HPLC), single-crystal X-ray diffraction, and electronic circular dichroism (ECD) analyses. The antiproliferative effects of munropenes A-F were evaluated in five tumor cell lines: HCT116, A549, HepG2, MCF7, and MDAMB. Munropenes A, B, D, and F ( 1 , 2 , 4 , and 6 ) inhibited proliferation in the HCT116 cell line with IC 50 values of 40.90, 19.13, 17.66, and 32.62 µM, respectively.
Keyphrases
- high performance liquid chromatography
- room temperature
- high resolution
- tandem mass spectrometry
- simultaneous determination
- mass spectrometry
- solid phase extraction
- electron transfer
- cell cycle arrest
- density functional theory
- ms ms
- ionic liquid
- molecular docking
- signaling pathway
- liquid chromatography
- breast cancer cells
- single molecule
- electron microscopy
- electronic health record
- cell death
- transition metal
- magnetic resonance
- dual energy
- computed tomography
- magnetic resonance imaging
- pi k akt
- crystal structure
- molecular dynamics simulations
- machine learning
- deep learning