Quantum Pharmaceuticals, Russia.
Acta Naturae. 2011 Jul;3(3):47-51.
The crystal structure of the human transcription factor DLX5 has been used for the screening of a library consisting of 10(6 )compounds by the molecular docking technique.In vitro testsof the 14 top-rated ligands showed that compound Q12 displays the best ability to inhibit the proliferation ofDlx5 positive mouse lymphoma cells, which correlates with the down-regulation ofc-mycexpression. Compound Q12 has low toxicity on normal human ovarian epithelial cells and mouse lymphoma cells with absent expression ofDlx5, and can be used for further chemical optimization and for the development of novel, highly efficient cancer treatments.
利用人转录因子 DLX5 的晶体结构,通过分子对接技术对包含 10^6 个化合物的文库进行筛选。对前 14 种评分最高的配体进行的体外测试表明,化合物 Q12 显示出抑制 Dlx5 阳性鼠淋巴瘤细胞增殖的最佳能力,这与 c-mycexpression 的下调相关。化合物 Q12 对正常人类卵巢上皮细胞和不表达 Dlx5 的鼠淋巴瘤细胞的毒性较低,可用于进一步的化学优化和开发新型、高效的癌症治疗方法。