基于生物信息学的寡肽类PTP1B抑制剂研究

发布时间：2018-03-10 13:07

  本文选题：PTPB抑制剂　切入点：生物信息学　出处：《中华中医药杂志》2017年03期 　论文类型：期刊论文

【摘要】：目的:快速有效地筛选寡肽类PTP1B抑制剂。方法:使用计算机辅助药物设计方法包括基于片段建立虚拟寡肽库及基于最优法的虚拟筛选。结果:得到3个六肽化合物,分别是trp-asp-glu-glu-asp-ser、asp-asp-gluglu-asp-asp和glu-asp-glu-glu-asp-glu,对这3个化合物进行了体外抑制活性实验,其IC50分别为3.301、2.294、2.239mmol/L。结论:本实验结果提供了治疗2型糖尿病的有效先导化合物,为之后研究蛋白质类成分治疗2型糖尿病的作用机制提供研究基础。
[Abstract]:Objective: to screen oligopeptide PTP1B inhibitors quickly and effectively. Methods: using computer-aided drug design methods: virtual oligoseptide library based on fragments and virtual screening based on optimal method were established. Results: three hexapeptide compounds were obtained. The inhibitory activity of trp-asp-glu-glu-asp-asp and glu-glu-glu-asp-glu-asp and glu-asp-glu-glu-asp-glue were tested in vitro. The IC50 of the three compounds was 3.301 ~ 2.294- 2.239mmol路 L ~ (-1) respectively. Conclusion: this experiment provides an effective lead compound for the treatment of type 2 diabetes. To provide a basis for the study of the mechanism of protein components in the treatment of type 2 diabetes.
【作者单位】： 北京中医药大学中药学院;
【基金】：国家自然科学基金项目(No.81373985)~~
【分类号】：R977.15
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本文编号：1593471