数字农科院2.0

Artificial intelligence-driven discovery of bioactive peptides: Computational approaches and future perspectives

文献类型： 外文期刊

作者： Liu, Xu;Guan, Feifei;Luo, Huiying;Yao, Bin;Tian, Jian

作者机构：

关键词： Bioactive peptides;Antimicrobial peptides;Antioxidant peptides;Anti-inflammatory peptides;Multifunctional peptides;Artificial intelligence

期刊名称： ABIOTECH

ISSN： 2096-6326

年卷期： 2025 年 7 卷 1 期

页码：

收录情况： EI（2025版） ; ; CSCD（2025-2026年度） ; ; 农林核心（2024版） ; ; ESCI（2025版）

摘要： Bioactive peptides, defined as amino acid chains exhibiting diverse biological functions such as antimicrobial, antioxidant, and anti-inflammatory activities, are primarily generated through protein digestion methods including enzymatic hydrolysis, physical processing techniques and controlled microbial fermentation. Conventional discovery techniques that rely on multi-stage separation processes, such as enzymatic digestion, ultrafiltration, ion-exchange chromatography, gel filtration chromatography, and reverse-phase high-performance liquid chromatography (RP-HPLC) inherently demand substantial laboratory resources and extended timeframes. To address these limitations, artificial intelligence (AI)-driven approaches have emerged as transformative discovery platforms. These computational pipelines systematically execute six critical phases: comprehensive data acquisition and curation, advanced feature engineering utilizing physicochemical descriptors, machine learning model construction using algorithms, iterative model training incorporating hyperparameter optimization, rigorous validation against benchmark datasets, and high-throughput bioactive peptide prediction. This comprehensive review critically evaluates recent AI applications across four key bioactive peptide categories including antimicrobial peptides, antioxidant peptides, anti-inflammatory peptides, and multifunctional variants. Furthermore, it proposes integrated enhancement strategies such as classifying peptides via their functional mechanism or using database-independent modeling approaches. Additionally, based on AI methods, scenariospecific peptide customization and prediction of bioactivity in digested proteomes are anticipated to be achieved in the future.

分类号：

  • 相关文献

[1]Unlocking the potential: Exploring the application of bioactive peptides in aquaculture. Shiyou Chen,Tao Ding,Jie Wang,Xiaofang Liang,Hao Wang,Junjun Wang,Min Xue. 2025

[2]An Effective Modification Strategy to Build Multifunctional Peptides Based on a Trypsin Inhibitory Peptide of the Kunitz Family. Ying Wang,Daning Shi,Wanchen Zou,Yangyang Jiang,Tao Wang,Xiaoling Chen,Chengbang Ma,Wei Li,Tianbao Chen,James F. Burrows,Lei Wang,Mei Zhou. 2024

[3]Expression and characterization of recombinant gallinacin-9 and gallinacin-8 in Escherichia coli. Ma, De-ying,Shan, An-shan,Liu, Sheng-wang,Han, Zong-xi,Li, Yi-jin.

[4]Royal jelly proteins-derived anti-inflammatory peptides protected inflammation in DSS-induced colitis mice through Src/NF-κB signaling pathway. Jianying Guo,Ruihua Ye,Qingyun Guo,Fei Pan,Zixu Wang,Yaoxing Chen,Wenli Tian,Yulan Dong. 2025

[5]Exploring the Anti-Inflammatory Effects and Molecular Mechanisms of Novel Peptides from Coregonus Peled: An Integrated Approach Combining In Silico and In Vitro. Li, Ruohan,Liu, Shuyan,Zhang, Rong,Ma, Zhuang,Li, Yi,Gao, Yanan. 2026

[6]Identification and characterization of antioxidant peptides from sweet potato protein hydrolysates by Alcalase under high hydrostatic pressure. Mu, Tai-Hua.

[7]Purification and identification of antioxidant peptides from sweet potato protein hydrolysates by Alcalase. Mu, Tai-Hua. 2014

[8]Improvement Of Thermal, Microwave And U.ltrasonication Pretreatment On The P roduction Of Antioxidant Peptides From Sweet Potato Protein Via Invitro Gastrointestinal Digestion. Zhang, M, Huang, TS, Mu, TH. 2019

[9]Enzymatic synthesis of antioxidant peptides with controllable and adjustable molecular weights using magnetically recyclable immobilized Alcalase. Junhua Di,Yang Li,Yi Zhang,Kheng Lim Goh,Mingming Zheng. 2025

[10]Effects of Chitosan/Collagen Peptides/Cinnamon Bark Essential Oil Composite Coating on the Quality of Dry-Aged Beef. Songshan Zhang,Xiaobin Sun,Yuanhua Lei,Baozhong Sun,Peng Xie,Xiaochang Liu. 2022

[11]Yak (Bos Grunniens) Bones Collagen-Derived Peptides Stimulate Osteoblastic Proliferation And Differentiation Via The Activation Of Wnt/Beta-Catenin Signaling Pathway. Ye, ML, Zhang, CH, Zhu, LY, Jia, W, Shen, QS. 2020

[12]Peptidomic Analysis of Potential Bioactive Peptides in Mare Milk Under Different Heat Treatment Conditions. Xiaoxiao Lou,Wei Shao,Yating Wu,Hongpeng Ma,He Chen,Nan Zheng,Yankun Zhao. 2024

[13]Deciphering the gastrointestinal fate of four heat-treated legume proteins: Focus on digestive characteristics and peptide profiles. Qiqian Feng,Jinquan Lin,Hao Ran,Yang Yao,Fen Zhao,Yuanlin Sun,Fang Zhong,Sumei Zhou,Dianzhi Hou. 2025

[14]Edible Insects as Future Proteins: Nutritional Value, Functional Properties, Bioactivities, and Safety Perspectives. Xu, Xinyan,Feng, Mengmeng,Wei, Tongwei,Pan, Fei,Zhao, Liang,Zhao, Lei. 2025

[15]Natural bioactive peptides in photoaging: Multi-target mechanisms, clinical progress, and future anti-aging applications. Wang, Diandian,Li, Yang,Lu, Jiamin,Zhou, Yaxi,Chang, Xinyue,Liu, Jiaqi,Zhang, Shaoshi,Yan, Wenjie. 2025

[16]Antimicrobial Peptides From Different Plant S.ources: Isolation, Characterisation, And P urification. Tang, Swee-Seong,Tang, Swee-Seong,Sekaran, Shamala D.,Prodhan, Zakaria H.,Le, Cheng-Foh,Biswas, Sudhangshu K.,Prodhan, Zakaria H.. 2018

[17]EST-based in silico identification and in vitro test of antimicrobial peptides in Brassica napus. Ke, Tao,Cao, Huihui,Huang, Junyan,Dong, Caihua,Yu, Jingyin,Mao, Han,Liu, Shengyi,Ke, Tao,Wang, Xi,Niu, Qiuhong,Hui, Fengli,Huang, Junyan,Hu, Fan,Huang, Jin,Dong, Caihua,Ma, Xiangdong,Liu, Shengyi. 2015

[18]Design and characterization of novel hybrid peptides from LFB15(W4,10), HP(2-20), and cecropin A based on structure parameters by computer-aided method. Tian, Zi-gang,Dong, Tian-tang,Teng, Da,Yang, Ya-lin,Wang, Jian-hua.

[19]Mechanism of action of a novel recombinant peptide, MP1102, against Clostridium perfringens type C. Zong, Lifen,Teng, Da,Wang, Xiumin,Mao, Ruoyu,Yang, Na,Hao, Ya,Wang, Jianhua,Zong, Lifen,Teng, Da,Wang, Xiumin,Mao, Ruoyu,Yang, Na,Hao, Ya,Wang, Jianhua.

[20]Bacterial expression of a Trichosanthes kirilowii defensin (TDEF1) and its antifungal activity on Fusarium oxysporum. Jian Gui-Liang,Zhang Ying-Tao,Ai Tie-Min.

作者其他论文 更多>>