| 补骨脂中组织蛋白酶K抑制剂的虚拟筛选 |
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| 引用本文： | 丁黎艳,郭晏华,张明波.补骨脂中组织蛋白酶K抑制剂的虚拟筛选[J].辽宁中医杂志,2012(4):710-711. |
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| 作者姓名： | 丁黎艳 郭晏华 张明波 |
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| 作者单位： | 辽宁中医药大学药学院 |
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| 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。
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| 关 键 词： | 补骨脂 虚拟筛选 组织蛋白酶K |
Virtual Screening of Components of Psoraleae for Cathepsin K Inhibitors |
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| DING Li-yan,GUO Yan-hua,ZHANG Ming-bo.Virtual Screening of Components of Psoraleae for Cathepsin K Inhibitors[J].Liaoning Journal of Traditional Chinese Medicine,2012(4):710-711. |
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| Authors: | DING Li-yan GUO Yan-hua ZHANG Ming-bo |
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| Institution: | (Liaoning University of Traditional Chinese Medicine,Dalian 116600,Liaoning,China) |
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| Abstract: | Objective:Structure based virtual screening method was used to search for Cathepsin K inhibitors as anti-osteoporosis medicine.Methods:Based on the three-dimensional structure of Cathepsin K(PDB code:3KWZ)active site,chemical components of Psoralen are virtually screened with software DOCK 6.0.Results:Bavachromene,Corylidin,Bavachalcone,Isobavachalcone and Glucoside B had high affinity with Cathepsin K.Conclusion:Psoralen may strengthen bones by inhibiting Cathepsin K. |
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| Keywords: | posoralen virtual screening Cathepsin K |
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