Histone-lysine N-methyltransferase SET7 emerged as a potential target for multiple cancers. In a virtual screening program used to explore new and potent inhibitors of SET7, compound 16 was discovered as a top hit with an IC50 value of 6.02 μM. A further similarity search afforded a new compound 23, which exhibited better activity against SET7 with an IC50 value of 1.96 μM. Importantly, compound 23 selectively inhibited the proliferation of MV4-11 cells. Comprehensively, compound 23 can serve as a lead for further identification and development of more potent SET7 inhibitors.

中文翻译：

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针对组蛋白赖氨酸N-甲基转移酶SET7的新型抑制剂的计算发现和生物学评估。

组蛋白赖氨酸N-甲基转移酶SET7成为多种癌症的潜在靶标。在用于探索SET7新抑制剂的虚拟筛选程序中，发现化合物16是头号货品，IC50值为6.02μM。进一步的相似性研究提供了新化合物23，其对SET7表现出更好的活性，IC50值为1.96μM。重要的是，化合物23选择性地抑制了MV4-11细胞的增殖。总体而言，化合物23可作为进一步鉴定和开发更有效的SET7抑制剂的先导。