补骨脂中组织蛋白酶K抑制剂的虚拟筛选

被引:11
作者
丁黎艳
郭晏华
张明波
机构
[1] 辽宁中医药大学药学院
关键词
补骨脂; 虚拟筛选; 组织蛋白酶K;
D O I
10.13192/j.ljtcm.2012.04.139.dingly.073
中图分类号
R285 [中药药理学];
学科分类号
1008 ;
摘要
目的:利用基于结构的虚拟筛选方法寻找中药补骨脂中组织蛋白酶K(Cathepsin K)的抑制剂。方法:采用DOCK6.0软件,将组织蛋白酶K(PDB代码:3KWZ)三维结构的活性位点和补骨脂中化合物进行对接。结果:补骨脂中补骨脂色烯查耳酮、双羟异补骨脂定、补骨脂查耳酮、异补骨脂查耳酮(补骨脂乙素)和葡萄糖苷B与组织蛋白酶K具有较高亲和力。结论:补骨脂可能通过抑制组织蛋白酶K来发挥壮骨作用。
引用
收藏
页码:710 / 711
页数:2
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