组蛋白去乙酰化酶抑制剂的QSAR研究

QSAR Studies of Antitumor Inhibitors of Histone Deacetylases

目的 :研究吲哚酰胺异羟肟酸类组蛋白去乙酰化酶 (HDACs)抑制剂的抗肿瘤定量构效关系。方法 :采用经典Hansch分析方法。结果 :获得相关性较好的定量构效关系方程 ,表明此类HDACs抑制剂的抗肿瘤活性与氮上电荷、范德华面积、EHOMO ELUMO、LogP和Kappa 3相关 。

AIM:Studies of QSAR of antitumor inhibitors of histone deacetylases.METHOD:Using the method of Hansch.RESULT:The biological activities are related to the charge of nitrogen,van de Waals surface, E HOMO E LUMO ,LogP and molecular connectivity index Kappa 3.The equation is reliable and explains the mechanisms of histone deacetylase like protein(HDLP) and trichostatin A(TSA) complex.