摘要
本文借助计算机辅助设计,结合已上市的CDK4/6抑制剂活性片段构建药效团模型,设计合成了15个水飞蓟宾C-7位结构衍生物。经MS、^(13)C NMR和^(1)H NMR谱图解析确认,15个化合物均为未见文献报道的新化合物。采用MTT法,对人肝癌细胞(HepG-2)进行了初步的体外抗肿瘤活性研究。实验结果表明,所有化合物均比母体水飞蓟宾的活性有提高,其中化合物I_(1)对人HepG-2细胞有一定的抑制作用,值得进一步研究。
By using computer-aided drug design,the activities group model which CDK4/6 inhibitors on the market were introduced to silybin C-7,and a series of silybin derivatives were designed and synthesized,and the structure was confirmed by MS,^(13)C NMR and ^(1)H NMR.The in vitro antitumor activity evaluation of the target compound was carried out by MTT method,and the in vitro anti-tumor activity was carried out in human hepatocellular carcinoma cells(HepG-2).Experimental results show that all compounds are higher than the activity of the parent silybin,of which compound I1has a certain inhibitory effect on human HepG-2 cells,which is worth further study.
作者
高诗特
蒯振彧
张志鹏
孟艳秋
GAO Shi-te;KUAI Zhen-yu;ZHANG Zhi-peng;MENG Yan-qiu(Shenyang University of Chemical Technology,Shenyang 110142,China;Shenyang Institute of Science and Technology,Shenyang 110166,China;Ma'anshan Vocational and Technical College,Ma'anshan 243031,China)
出处
《药学学报》
CAS
CSCD
北大核心
2023年第3期721-728,共8页
Acta Pharmaceutica Sinica
基金
辽宁省重点研发计划项目(2019JH2/10300034)
辽宁省教育厅重点项目(LJKZ0427)
沈阳市重大科技成果转化项目(20-203-5-45)
沈阳化工大学重点攻关项目(LDB2019001)
安徽省高校自然科学研究项目(KJ2021A1340)。
作者简介
通讯作者:孟艳秋,Tel:86-24-89383903,Fax:86-24-89383760,E-mail:myq6581@163.com。
