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Aminopeptidase N inhibitory peptides derived from hen eggs: Virtual screening, inhibitory activity, and action mechanisms
Food Bioscience ( IF 4.8 ) Pub Date : 2020-08-07 , DOI: 10.1016/j.fbio.2020.100703
Wenzhu Zhao , Dan Zhang , Zhipeng Yu , Long Ding , Jingbo Liu

Aminopeptidase N (APN) is an important zinc-dependent metalloproteinase expressed on cell surfaces. This study was done to find APN inhibitory peptides using virtual screening and molecular docking. Hen egg proteins were cleaved using pepsin and trypsin in silico to peptides of different lengths. Dipeptides and tripeptides are more easily absorbed in the gastrointestinal tract (GIT). The bioactivity, solubility, absorption, distribution, metabolism, excretion, and toxicity properties of the dipeptides and tripeptides were then predicted. APN was used as a molecular docking target for potential peptides. The tripeptides CNR, CDR and GEF were docked with the APN residues, His388, His392, Glu411, Glu355 and Tyr477. An in vitro APN inhibition assay showed that the IC50 values of CNR, CDR and GEF against APN were 8.94, 6.42, and 61.7 mM, respectively.



中文翻译:

鸡蛋中的氨肽酶N抑制肽:虚拟筛选,抑制活性和作用机理

氨基肽酶N(APN)是在细胞表面表达的重要的锌依赖性金属蛋白酶。进行了这项研究以使用虚拟筛选和分子对接来发现APN抑制肽。使用胃蛋白酶和胰蛋白酶在计算机上将鸡蛋蛋白切割成不同长度的肽。二肽和三肽更容易在胃肠道(GIT)中吸收。然后预测了二肽和三肽的生物活性,溶解度,吸收,分布,代谢,排泄和毒性。APN用作潜在肽的分子对接靶标。三肽CNR,CDR和GEF与APN残基,His388,His392,Glu411,Glu355和Tyr477对接。的体外APN抑制测定表明,该IC 50 针对APN的CNR,CDR和GEF值分别为8.94、6.42和61.7 mM。

更新日期:2020-08-07
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