Department of Chemistry, Faculty of Science, University of Ain Shams, Abbassia 11566, Cairo, Egypt.
Bioorg Med Chem. 2010 Nov 1;18(21):7639-50. doi: 10.1016/j.bmc.2010.08.033. Epub 2010 Aug 26.
A series of novel purine and pyrimidine derivatives were prepared and biologically evaluated for their in vitro anti-CDK2/cyclin A3 and antitumor activities in Ehrlich ascites carcinoma (EAC) cell based assay. The novel purine derivatives 13a,b demonstrated potent inhibitor activities with IC(50) values of 14±9 and 13±9 μM, respectively. Additionally, compound 15a showed the highest potency (IC(50)=10±6 μM) in EAC cell based assay. Molecular modeling study, including fitting to a 3D-pharmacophore model and their docking into cyclin dependant kinase2 (CDK2) active site showed high fit values and docking scores.
一系列新型嘌呤和嘧啶衍生物被制备出来，并在基于艾氏腹水癌（EAC）细胞的测定中，通过体外抗 CDK2/细胞周期蛋白 A3 和抗肿瘤活性对其进行了生物评估。新型嘌呤衍生物 13a,b 表现出很强的抑制活性，其 IC50 值分别为 14±9 和 13±9 μM。此外，化合物 15a 在 EAC 细胞测定中表现出最高的效力（IC50=10±6 μM）。分子建模研究，包括与三维药效团模型拟合及其在细胞周期依赖性激酶 2（CDK2）活性部位的对接，显示出高拟合值和对接分数。
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