A moderate elevation in reactive oxygen species (ROS) levels can generally be controlled in normal cells, but may lead to death of cancer cells as the ROS level in cancer cells is already elevated. Therefore, a ROS-generating compound can act as a selective chemotherapeutic agent for cancer cells that does not affect normal cells. In our previous study, a compound containing a Michael acceptor was selectively cytotoxic to cancer cells without affecting normal cells; therefore, we designed and synthesized 26 compounds containing a Michael acceptor. Their cytotoxicities against HCT116 human colon cancer cell lines were measured by using a clonogenic long-term survival assay. To derive the structural conditions required to obtain stronger cytotoxicity against cancer cells, the relationships between the half-maximal cell growth inhibitory concentration values of the synthesized compounds and their physicochemical properties were evaluated by Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis. It was confirmed that the compound with the best half-maximal cell growth inhibitory concentration triggered apoptosis through ROS generation, which then led to stimulation of the caspase pathway.

在正常细胞中，通常可以控制活性氧（ROS）水平的适度升高，但是由于癌细胞中ROS的水平已经升高，因此可能导致癌细胞死亡。因此，产生ROS的化合物可以用作不影响正常细胞的癌细胞的选择性化学治疗剂。在我们之前的研究中，含有迈克尔受体的化合物对癌细胞具有选择性的细胞毒性，而不会影响正常细胞。因此，我们设计并合成了26种含迈克尔受体的化合物。通过使用克隆形成的长期存活测定法测量了它们对HCT116人结肠癌细胞系的细胞毒性。为了获得对癌细胞具有更强细胞毒性所需的结构条件，通过比较分子场分析和比较分子相似性指数分析评价了合成化合物的半数最大细胞生长抑制浓度值与其理化性质之间的关系。证实具有最大半数最大细胞生长抑制浓度的化合物通过ROS产生触发细胞凋亡，然后导致caspase途径的刺激。