Institute of Materia Medica, College of Pharmaceutical Sciences, Zhejiang University, Zijingang Campus, Hangzhou, Zhejiang 310058, People's Republic of China.
Mol Divers. 2011 Aug;15(3):665-75. doi: 10.1007/s11030-010-9289-7. Epub 2010 Nov 14.
Three series of flavonoid derivatives were designed and synthesized. All synthesized compounds were evaluated for cytotoxic activities against five human cancer cell lines, including K562, PC-3, MCF-7, A549, and HO8910. Among the compounds tested, compound 9 d exhibited the most potent cytotoxic activity with IC(50) values of 2.76-6.98 μM. Further comparative molecular field analysis was performed to conduct a 3D quantitative structure-activity relationship study. The generated 3D-QSAR model could be used for further rational design of novel flavonoid analogs as highly potent cytotoxic agents.
设计并合成了三个系列的黄酮类衍生物。所有合成的化合物都被评估了对五种人类癌细胞系（包括 K562、PC-3、MCF-7、A549 和 HO8910）的细胞毒性活性。在所测试的化合物中，化合物 9d 表现出最强的细胞毒性活性，IC50 值为 2.76-6.98 μM。进一步进行了比较分子场分析，以进行 3D 定量构效关系研究。生成的 3D-QSAR 模型可用于进一步合理设计新型黄酮类类似物作为高效的细胞毒性剂。
