人细胞周期蛋白依赖性激酶3与抑制剂复合物的分子建模及动力学模拟
Molecular modeling and dynamics simulation of human cyclin-dependent kinase 3 complexed with inhibitors.
作者信息
Perez Patrícia Cardoso, Caceres Rafael A, Canduri Fernanda, de Azevedo Walter Filgueira
机构信息
Faculdade de Biociências-Laboratório de Bioquímica Estrutural-PUCRS, Porto Alegre, RS, Brazil.
出版信息
Comput Biol Med. 2009 Feb;39(2):130-40. doi: 10.1016/j.compbiomed.2008.11.004. Epub 2009 Jan 18.
The complex CDK3-cyclin is involved in the control of the progression of G0. While the mechanisms governing early and late G1 progression are well understood, very little is known about the G0-G1 transition. Human CDK3 is closely related to cyclin-dependent kinase 2 (CDK2). Since there is no crystallographic structure of human CDK3, this work describes for the first time a molecular model of human CDK3 complexed with several inhibitors. Comparison of the binary complexes with different inhibitors strongly indicates that those inhibitors should inhibit CDK3 as well as CDK2.
复杂的CDK3-细胞周期蛋白参与G0期进程的调控。虽然控制G1期早期和晚期进程的机制已为人熟知，但对于G0-G1期转换却知之甚少。人类CDK3与细胞周期蛋白依赖性激酶2（CDK2）密切相关。由于目前尚无人类CDK3的晶体结构，这项工作首次描述了人类CDK3与几种抑制剂复合的分子模型。对不同抑制剂的二元复合物进行比较强烈表明，这些抑制剂应同时抑制CDK3和CDK2。
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