Prediction, molecular docking and identification of novel umami hexapeptides derived from Atlantic cod (Gadus morhua),International Journal of Food Science & Technology

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Prediction, molecular docking and identification of novel umami hexapeptides derived from Atlantic cod (Gadus morhua)
International Journal of Food Science & Technology ( IF 2.6 ) Pub Date : 2020-06-01 , DOI: 10.1111/ijfs.14655
Wenhui Zhu _{1,

2,

3} , Wei He _{1,

2,

3} , Fei Wang _{1,

2,

3} , Ying Bu _{1,

2,

3} , Xuepeng Li _{1,

2,

3} , Jianrong Li _{1,

2,

3}

Affiliation

This paper investigated umami hexapeptides derived from myosin of Atlantic cod (Gadus morhua) using homology modelling, molecular docking, taste evaluation and e‐tongue verification. After hydrolysing and prediction in silico, potential bioactivity, toxicity and physicochemical properties of 48 hexapeptides were predicted. Five hexapeptides were selected to dock with the T1R1–T1R3 homology model which was built with SWISS‐MODEL. Docking results showed that the five hexapeptides could enter the docking region, and INKPGL, SDSCIR and GPDPER had the lowest CDOKER_ENERGY. E‐tongue result showed that the umami and richness value of all the three hexapeptides in 0.4 mg mL⁻¹ were higher than a 0.1% MSG solution. Sensory evaluation result showed that INKPEL had the strongest umami taste among the three hexapeptides and the umami threshold value was 0.25 mg mL⁻¹. These results suggested that homology modelling can be used for predicting umami peptides, and three umami hexapeptides were identified by in silico screening.

中文翻译：

来自大西洋鳕鱼的新鲜味六肽的预测，分子对接和鉴定

本文研究了从大西洋鳕鱼（肌球蛋白衍生的鲜味六肽鳕鳕使用同源性建模，分子对接，风味评价和电子舌验证）。在计算机上进行水解和预测后，可以预测48种六肽的潜在生物活性，毒性和理化性质。选择了五个六肽与SWISS-MODEL建立的T1R1-T1R3同源性模型对接。对接结果表明，这五个六肽可以进入对接区域，而INKPGL，SDSCIR和GPDPER的CDOKER_ENERGY最低。电子舌结果显示，三种六肽在0.4 mg mL ^-1中的鲜度和富集度值高于0.1％的味精溶液。感官评估结果显示，INKPEL在三种六肽中的鲜味最强，鲜味阈值为0.25 mg mL ^-1。这些结果表明同源性建模可用于预测鲜味肽，并且通过计算机筛选鉴定了三种鲜味六肽。

更新日期：2020-06-01

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