Identification and virtual screening of novel umami peptides from chicken soup by molecular docking.
Identification and virtual screening of novel umami peptides from chicken soup by molecular docking.
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DOI：
10.1016/j.foodchem.2022.134414
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发表时间：
2022-09
期刊：
影响因子：
8.8
通讯作者：
Jingcheng Zhang;Jincheng Zhang;Li Liang;Baoguo Sun;Yuyu Zhang
中科院分区：
文献类型：
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作者：
Jingcheng Zhang;Jincheng Zhang;Li Liang;Baoguo Sun;Yuyu Zhang
通过结合python脚本调用，实现了分子对接的批处理，从鸡汤中鉴定的208种肽中筛选出20种潜在的鲜味肽。通过感官分析，9种肽以鲜味为主，其中PPQEAAQF（2.56）的鲜味强度最高，其次是AEEHVEAVN（2.43）和NEFGYSNR（2.19）。9种肽的阈值范围为0.08 mM至0.58 mM。在0.35%MSG中，LPLQD增鲜效应的有效阈值为0.24mM.此外，分子对接结果表明，味觉受体1型成员1的His71、Ser107和Asp147以及味觉受体1型成员3的Asn68、Asp216、His387和Ala302通过形成氢键和疏水力在与鲜味肽的结合中起关键作用。因此，分子对接和python脚本调用的组合对于鲜味肽筛选是有效且经济的。
By combining python script invocation, the batch processing of molecular docking was achieved to screen 20 potential umami peptides out of the 208 peptides identified in chicken soup. Nine peptides were dominated by umami taste according to sensory analysis, among which PPQEAAQF (2.56) has the highest umami intensity, followed by AEEHVEAVN (2.43) and NEFGYSNR (2.19). The threshold of nine peptides ranged from 0.08 mM to 0.58 mM. In 0.35 % MSG, the effective threshold of umami-enhancing effect of LPLQD was 0.24 mM. In addition, the molecular docking results indicated that His71, Ser107, and Asp147 of taste receptor type 1 member 1, and Asn68, Asp216, His387, and Ala302 of taste receptor type 1 member 3 play critical roles in the binding with umami peptides by forming hydrogen bonds and hydrophobic force. Thus, the combination of molecular docking and python script invocation was effective and economical for umami peptides screening.