Cytotoxic Guaianolide Sesquiterpenoids from Ainsliaea fragrans.
Ning DingJunyang WangJian LiuYoujuan ZhuShurong HouHuimin ZhaoYisheng YangXiabin ChenLihong HuXia-Chang WangPublished in: Journal of natural products (2021)
Twelve guaianolide-type sesquiterpene oligomers with diverse structures were isolated from the whole plants of Ainsliaea fragrans, including a novel trimer (1) and two new dimers (2, 3). The chemical structures of the new compounds were elucidated through spectroscopic data interpretation and computational calculations. Ainsfragolide (1) is an unusual guaianolide sesquiterpene trimer generated with a novel C-C linkage at C2'-C15″, which may be biosynthesized prospectively through a further Michael addition. Cytotoxicity results showed that ainsfragolide (1) was the most potent compound against five cancer cell lines with IC50 values in the range of 0.4-8.3 μM.
Keyphrases
- papillary thyroid
- high resolution
- molecular docking
- squamous cell
- density functional theory
- molecular dynamics
- electronic health record
- molecular dynamics simulations
- big data
- genome wide
- lymph node metastasis
- hiv testing
- squamous cell carcinoma
- childhood cancer
- artificial intelligence
- mass spectrometry
- men who have sex with men
- hiv infected
- human immunodeficiency virus
- antiretroviral therapy