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 M ( 5 ) containing a rare cage-ring and chetocochliodin N ( 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
- molecular docking
- cancer therapy
- simultaneous determination
- papillary thyroid
- magnetic resonance
- small molecule
- liquid chromatography
- high throughput
- squamous cell carcinoma
- structure activity relationship
- young adults
- molecular dynamics simulations
- recombinant human
- signaling pathway