UPLC-Q-TOF-MS/MS-Based Targeted Discovery of Chetomin Analogues from Chaetomium cochliodes .
Jian-Zi LiuYan-Duo WangHui-Qi FangGui-Bo SunZhong-Mei ZouPublished in: Journal of natural products (2024)
Chetocochliodin J ( 5 ) containing a rare cage-ring and chetocochliodin K ( 6 ) featuring an unusual piperazine-2,3-dione ring system together with known analogues chetomin ( 1 ), chetoseminudin C ( 2 ), chetocochliodin I ( 3 ), and oidioperazine E ( 4 ) were targeted for purification from the fungus Chaetomium cochliodes using a UPLC-Q-TOF-MS/MS approach. The structures of the new compounds were elucidated using HR-ESI-MS, NMR, and ECD spectra. Compounds 1 , 3 , and 6 exhibited strong cytotoxic activities against A549 and HeLa cancer cell lines.
Keyphrases
- ms ms
- mass spectrometry
- multiple sclerosis
- high resolution
- cancer therapy
- molecular docking
- simultaneous determination
- magnetic resonance
- papillary thyroid
- small molecule
- squamous cell
- structure activity relationship
- high throughput
- squamous cell carcinoma
- density functional theory
- signaling pathway
- cell proliferation
- young adults
- molecular dynamics
- pi k akt