论文部分内容阅读
依据生物电子等排原理,设计合成了13个全新结构的1,2-苯并噻嗪类化合物,其结构均经IR,1H NMR,13C NMR和MS确证.以A431,A549,MDA-MB-468和HL60 4种细胞株为活性筛选对象,采用四甲基偶氮唑盐(MTT)法进行初步的体外抗肿瘤活性研究.结果表明,部分化合物对肿瘤细胞有一定的抑制活性,其中化合物5b对A431具有显著的抑制活性,IC50值为1.57μmol/L,化合物9a对A431,A549和MDA-MB-468 3种细胞株的抑制活性均强于阳性对照药gefitinib.并采用Moe软件对所合成的化合物与表皮生长因子受体(EGFR)结合位点进行对接,以进一步阐释所合成化合物的作用靶标.
Thirteen new benzothiazine compounds were designed and synthesized based on the principle of bioisosterism and their structures were confirmed by IR, 1H NMR, 13C NMR and MS.According to the results of A431, A549, MDA-MB- 468 and HL60 cell lines were used as active screening objects and the preliminary in vitro antitumor activity was studied by MTT method.The results showed that some of the compounds had certain inhibitory activity on tumor cells and the compounds 5b The inhibitory activity of compound 9a on A431, A549 and MDA-MB-468 cell lines was stronger than that of gefitinib, a positive control drug against A431 with an IC50 value of 1.57μmol / Docking with the epidermal growth factor receptor (EGFR) binding site to further elucidate the target of action of the synthesized compounds.