磺酰肼作为选择性PI3K p110α抑制剂的合成、生物学评价及分子模拟
Synthesis, biological evaluation and molecular modelling of sulfonohydrazides as selective PI3K p110alpha inhibitors.
作者信息
Kendall Jackie D, Rewcastle Gordon W, Frederick Raphael, Mawson Claire, Denny William A, Marshall Elaine S, Baguley Bruce C, Chaussade Claire, Jackson Shaun P, Shepherd Peter R
机构信息
Auckland Cancer Society Research Centre, School of Medical and Health Sciences, The University of Auckland, Private Bag 92019, Auckland 1020, New Zealand.
出版信息
Bioorg Med Chem. 2007 Dec 15;15(24):7677-87. doi: 10.1016/j.bmc.2007.08.062. Epub 2007 Sep 4.
A series of 2-methyl-5-nitrobenzenesulfonohydrazides were prepared and evaluated as inhibitors of PI3K. An isoquinoline derivative shows good selectivity for the p110alpha isoform over p110beta and p110delta, and also demonstrates good in vitro activity in a cell proliferation assay. Molecular modelling provides a rationalisation for the observed SAR.
制备了一系列2-甲基-5-硝基苯磺酰肼，并将其作为PI3K抑制剂进行评估。一种异喹啉衍生物对p110α亚型显示出比对p110β和p110δ更好的选择性，并且在细胞增殖试验中也表现出良好的体外活性。分子建模为观察到的构效关系提供了合理的解释。
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