Bioorganic & Medicinal Chemistry ( IF 3.3 ) Pub Date : 2010-10-25 , DOI: 10.1016/j.bmc.2010.10.049 Jie Fu , Ying Yang , Xue-Wei Zhang , Wen-Jun Mao , Zhi-Ming Zhang , Hai-Liang Zhu
Twenty-one benzotriazoles (3–16 and 18–24) were synthesized and half of them (5, 8–16, 20, and 21) were reported for the first time. Their antiproliferative activities against three human cancer cells were assayed. It revealed that 1H-benzo[d][1,2,3]triazol-1-yl 3,4,5-trimethoxybenzoate (9) showed considerable activity against three human cancer cell lines with the half maximal inhibitory concentration (IC50) values of 1.2–2.4 nM, which were close to the value of the positive control, doxorubicin. Further investigation indicated compound 9 was a potential histone deacetylase inhibitor (IC50 = 9.4 μM) and its binding mode was simulated using docking method.
中文翻译:
通过抑制组蛋白脱乙酰基酶发现1 H-苯并[ d ] [1,2,3]三唑-1-基3,4,5-三甲氧基苯甲酸酯作为潜在的抗增殖剂
二十一苯并三唑(3 - 16和18 - 24)的合成和一半的(5,8 - 16,20,和21)均报告首次。测定了它们对三种人类癌细胞的抗增殖活性。结果表明,1 H-苯并[ d ] [1,2,3]三唑-1-基3,4,5-三甲氧基苯甲酸酯(9)在抑制浓度最大一半的情况下,对三种人类癌细胞系表现出相当大的活性(IC 50)值1.2–2.4 nM,与阳性对照阿霉素的值接近。进一步的研究表明,化合物9是潜在的组蛋白脱乙酰基酶抑制剂(IC 50 = 9.4μM),其结合模式使用对接法进行了模拟。