Anticancer Structure-activity Relationships and Potential Target Exploration of the Natural Product Gypsogenin
CHEMISTRYSELECT(2023)
摘要
Combined with molecular docking and molecular dynamic (MD) simulation, the derivative directions and structure-activity relationships of the compounds were initially explored. Nineteen gypsogenin derivatives were synthesized and screened for cytotoxic activities. Their structures were established using IR, H-1 NMR, C-13 NMR, and LC-MS spectroscopic data. In the CCK-8 assays, most of the compounds displayed good cytotoxicity in the low mu M range for several human tumor cell lines (A549, MCF-7 and LOVO). The bioassay test suggested that most of these derivatives showed antitumor activities. In particular, some compounds posed moderate antitumor activity. They may be related to start the process of apoptosis and lead to cell death.
更多查看译文
关键词
Apoptosis,Cytotoxic activity,Gypsogenin,Molecular docking,Natural product
AI 理解论文
溯源树
样例
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要