arXiv:2502.12167cs.LGcs.AI2025-02被引 1

AI平台TastePepAI可智能设计甜咸鲜味肽并排除不良风味,加速天然调味剂开发。

TastepepAI, An artificial intelligence platform for taste peptide de novo design

  • 用改进的变分自编码器优化序列隐空间,实现目标味觉肽生成。
  • 成功设计73种甜/咸/鲜味肽,扩展现有味觉肽库。
  • 集成毒性预测模型,支持安全评估,适合食品与肽工程领域。

味觉肽因其独特的感官特性、高安全性及潜在健康益处,成为有前景的天然调味剂。然而,从动植物或微生物来源中从头鉴定味觉肽仍耗时且资源密集,严重制约其在食品工业中的应用。本文提出TastePepAI,一个综合的人工智能平台,用于定制化味觉肽设计与安全评估。该框架的核心是损失监督的自适应变分自编码器(LA-VAE),可高效优化序列隐表示,促进具有特定味觉特征肽的生成。模型创新性引入味觉规避机制,实现风味选择性排除。随后,自研毒性预测算法(SpepToxPred)集成于平台中,对生成肽进行严格安全性评估。基于此平台,我们成功识别出73种呈现甜、咸、鲜味的肽,显著扩展了现有味觉肽谱。本研究展示了TastePepAI在加速食品用味觉肽发现方面的潜力,并提供了一个可拓展至更广泛肽工程挑战的通用框架。

原文摘要 · Abstract (English)

Taste peptides have emerged as promising natural flavoring agents attributed to their unique organoleptic properties, high safety profile, and potential health benefits. However, the de novo identification of taste peptides derived from animal, plant, or microbial sources remains a time-consuming and resource-intensive process, significantly impeding their widespread application in the food industry. Here, we present TastePepAI, a comprehensive artificial intelligence framework for customized taste peptide design and safety assessment. As the key element of this framework, a loss-supervised adaptive variational autoencoder (LA-VAE) is implemented to efficiently optimizes the latent representation of sequences during training and facilitates the generation of target peptides with desired taste profiles. Notably, our model incorporates a novel taste-avoidance mechanism, allowing for selective flavor exclusion. Subsequently, our in-house developed toxicity prediction algorithm (SpepToxPred) is integrated in the framework to undergo rigorous safety evaluation of generated peptides. Using this integrated platform, we successfully identified 73 peptides exhibiting sweet, salty, and umami, significantly expanding the current repertoire of taste peptides. This work demonstrates the potential of TastePepAI in accelerating taste peptide discovery for food applications and provides a versatile framework adaptable to broader peptide engineering challenges.

味觉肽AI设计食品科学肽工程

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