發(fā)布時間：2018-03-10 13:07

  本文選題：PTPB抑制劑　切入點：生物信息學　出處：《中華中醫(yī)藥雜志》2017年03期 　論文類型：期刊論文

【摘要】：目的:快速有效地篩選寡肽類PTP1B抑制劑。方法:使用計算機輔助藥物設計方法包括基于片段建立虛擬寡肽庫及基于最優(yōu)法的虛擬篩選。結果:得到3個六肽化合物,分別是trp-asp-glu-glu-asp-ser、asp-asp-gluglu-asp-asp和glu-asp-glu-glu-asp-glu,對這3個化合物進行了體外抑制活性實驗,其IC50分別為3.301、2.294、2.239mmol/L。結論:本實驗結果提供了治療2型糖尿病的有效先導化合物,為之后研究蛋白質(zhì)類成分治療2型糖尿病的作用機制提供研究基礎。
[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.
【作者單位】： 北京中醫(yī)藥大學中藥學院;
【基金】：國家自然科學基金項目(No.81373985)~~
【分類號】：R977.15
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本文編號：1593471