组蛋白去乙酰化酶抑制剂的QSAR研究
QSAR Studies of Antitumor Inhibitors of Histone Deacetylases
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摘要: 目的:研究吲哚酰胺异羟肟酸类组蛋白去乙酰化酶(HI)ACs)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,并能很好解释HDLP与TSA复合物的作用机理.Abstract: 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 connecti
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