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In silico identification of novel small molecule umami peptide from ovotransferrin
International Journal of Food Science & Technology ( IF 2.6 ) Pub Date : 2021-06-11 , DOI: 10.1111/ijfs.15166 Wenzhu Zhao 1 , Jingbo He 1 , Zhipeng Yu 1 , Sijia Wu 1 , Jianrong Li 1 , Jingbo Liu 2 , Xiaojun Liao 3
International Journal of Food Science & Technology ( IF 2.6 ) Pub Date : 2021-06-11 , DOI: 10.1111/ijfs.15166 Wenzhu Zhao 1 , Jingbo He 1 , Zhipeng Yu 1 , Sijia Wu 1 , Jianrong Li 1 , Jingbo Liu 2 , Xiaojun Liao 3
Affiliation
Umami ingredients are the important components of seasoning in food and widely used in food production. However, few novel umami peptides were isolated and identified. Here, the purpose of this research is to identify small molecule umami peptides derived from ovotransferrin by molecular docking. Based on the virtual enzymatic hydrolysis and molecular docking analysis, the tripeptide DEK with the lowest CDOCKER-ENERGY (−99.50 kcal mol−1) was identified, which could occupy the extracellular venus flytrap domain (VFTD) of T1R1/T1R3 (taste receptor type 1, member 1 and 3). Furthermore, the electronic tongue was used to measure the umami taste of DEK. The results showed that the umami value of DEK was 2.31, which was higher than that of monosodium L-glutamate via electronic tongue analysis. The docking results showed that virtual screening and molecular docking may be a more reliable and rapid method to substitute for classical methods for screening and identification of small molecule umami peptides.
中文翻译:
卵转铁蛋白新型小分子鲜味肽的计算机鉴定
鲜味配料是食品调味料的重要组成部分,广泛用于食品生产。然而,很少有新的鲜味肽被分离和鉴定。在这里,本研究的目的是通过分子对接鉴定源自卵转铁蛋白的小分子鲜味肽。基于虚拟酶解和分子对接分析,鉴定出具有最低CDOCKER-ENERGY(-99.50 kcal mol -1)的三肽DEK,它可以占据T1R1/T1R3(味觉受体类型)的细胞外捕蝇草结构域(VFTD) 1,成员 1 和 3)。此外,使用电子舌测量得可的鲜味。结果表明,DEK的鲜味值为2.31,高于L-谷氨酸钠的鲜味值。电子舌分析。对接结果表明,虚拟筛选和分子对接可能是一种更可靠、更快速的方法,可以替代经典的小分子鲜味肽筛选鉴定方法。
更新日期:2021-06-11
中文翻译:
卵转铁蛋白新型小分子鲜味肽的计算机鉴定
鲜味配料是食品调味料的重要组成部分,广泛用于食品生产。然而,很少有新的鲜味肽被分离和鉴定。在这里,本研究的目的是通过分子对接鉴定源自卵转铁蛋白的小分子鲜味肽。基于虚拟酶解和分子对接分析,鉴定出具有最低CDOCKER-ENERGY(-99.50 kcal mol -1)的三肽DEK,它可以占据T1R1/T1R3(味觉受体类型)的细胞外捕蝇草结构域(VFTD) 1,成员 1 和 3)。此外,使用电子舌测量得可的鲜味。结果表明,DEK的鲜味值为2.31,高于L-谷氨酸钠的鲜味值。电子舌分析。对接结果表明,虚拟筛选和分子对接可能是一种更可靠、更快速的方法,可以替代经典的小分子鲜味肽筛选鉴定方法。