Mining umami peptides in lager and multidimensional sensory evaluation of the beer body integrating computational biology with modern sensomics.

IF 8.2 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry: X Pub Date : 2025-10-06 eCollection Date: 2025-10-01 DOI:10.1016/j.fochx.2025.103132

Yashuai Wu, Ruiyang Yin, Zhiyuan Gao, Liyun Guo, Yumei Song, Dongrui Zhao, Jinyuan Sun, Mingquan Huang, Baoguo Sun

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Abstract

A systematic study identified umami peptides in lager beer, probed T1R1/T1R3 mechanisms, and quantified multidimensional sensory effects. RPLC-Q-TOF-MS with database search and de novo sequencing identified 1178 peptides; UMPred-FRL and TastePeptides-Meta yielded 142 candidates, of which 128 docked to modeled T1R1/T1R3. Four peptides-EESY, IEVVD, EIVDV, IGVND-were advanced to MD/MM-GBSA and sensory tests. Complexes showed favorable gas-phase interactions offset by polar solvation; binding free energies (kcal/Mol, mean ± SD) were EESY -70.91 ± 7.37, EIVDV -61.26 ± 3.42, IEVVD -60.93 ± 2.33, IGVND -55.24 ± 3.69, indicating EESY had the highest affinity/stability. Single-addition tests increased "umami" by +41.5 % (EESY), +34.0 % (IGVND), +14.9 % (IEVVD), and + 1.1 % (EIVDV). Effects concentrated in taste: EESY and IGVND reduced bitterness and enhanced overall balance; EIVDV maximized balance (+18.11 %) with slight bitterness rise; IEVVD increased bitterness (+17.65 %) yet improved balance. This established an integrated workflow for formulation optimization of lager beer.

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啤酒中鲜味肽的挖掘与啤酒体多维感官评价。

一项系统的研究鉴定了淡啤酒中的鲜味肽，探讨了T1R1/T1R3机制，并量化了多维感官效应。RPLC-Q-TOF-MS数据库检索和从头测序鉴定出1178个肽段；UMPred-FRL和TastePeptides-Meta共获得142个候选物，其中128个与模拟的T1R1/T1R3对接。四种肽（eesy、IEVVD、EIVDV、igvnd）进展到MD/MM-GBSA和感觉试验。配合物表现出良好的气相相互作用，被极性溶剂化抵消；结合自由能（kcal/Mol，平均值±SD）为EESY -70.91±7.37,EIVDV -61.26±3.42,IEVVD -60.93±2.33,IGVND -55.24±3.69，表明EESY具有最高的亲和力/稳定性。单次添加试验使“鲜味”增加了+ 41.5% （EESY）、+ 34.0% （IGVND）、+ 14.9% （IEVVD）和+ 1.1% （EIVDV）。效果集中在味觉上：EESY和IGVND减少了苦味，增强了整体平衡；EIVDV达到最大平衡（+ 18.11%），苦味略有上升；IEVVD增加了苦味（+ 17.65%），但改善了平衡性。建立了啤酒配方优化的集成工作流程。

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来源期刊

Food Chemistry: X CHEMISTRY, APPLIED-

CiteScore

4.90

自引率

6.60%

发文量

315

审稿时长

55 days

期刊介绍： Food Chemistry: X, one of three Open Access companion journals to Food Chemistry, follows the same aims, scope, and peer-review process. It focuses on papers advancing food and biochemistry or analytical methods, prioritizing research novelty. Manuscript evaluation considers novelty, scientific rigor, field advancement, and reader interest. Excluded are studies on food molecular sciences or disease cure/prevention. Topics include food component chemistry, bioactives, processing effects, additives, contaminants, and analytical methods. The journal welcome Analytical Papers addressing food microbiology, sensory aspects, and more, emphasizing new methods with robust validation and applicability to diverse foods or regions.