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

【摘要】：目的:快速有效地篩選寡肽類(lèi)PTP1B抑制劑。方法:使用計(jì)算機(jī)輔助藥物設(shè)計(jì)方法包括基于片段建立虛擬寡肽庫(kù)及基于最優(yōu)法的虛擬篩選。結(jié)果:得到3個(gè)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(duì)這3個(gè)化合物進(jìn)行了體外抑制活性實(shí)驗(yàn),其IC50分別為3.301、2.294、2.239mmol/L。結(jié)論:本實(shí)驗(yàn)結(jié)果提供了治療2型糖尿病的有效先導(dǎo)化合物,為之后研究蛋白質(zhì)類(lèi)成分治療2型糖尿病的作用機(jī)制提供研究基礎(chǔ)。
[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(xué)中藥學(xué)院;
【基金】：國(guó)家自然科學(xué)基金項(xiàng)目(No.81373985)~~
【分類(lèi)號(hào)】：R977.15
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本文編號(hào)：1593471