深度AMP预测:一种用于识别抗菌肽及其功能活性的深度学习方法。
deep-AMPpred: A Deep Learning Method for Identifying Antimicrobial Peptides and Their Functional Activities.
作者信息
Zhao Jun, Liu Hangcheng, Kang Leyao, Gao Wanling, Lu Quan, Rao Yuan, Yue Zhenyu
机构信息
School of Information and Artificial Intelligence, Anhui Provincial Engineering Research Center for Beidou Precision Agriculture Information, Key Laboratory of Agricultural Sensors for Ministry of Agriculture and Rural Affairs, Anhui Agricultural University, Hefei, Anhui 230036, China.
Research Center for Biological Breeding Technology, Advance Academy, Anhui Agricultural University, Hefei, Anhui 230036, China.
出版信息
J Chem Inf Model. 2025 Jan 27;65(2):997-1008. doi: 10.1021/acs.jcim.4c01913. Epub 2025 Jan 10.
Antimicrobial peptides (AMPs) are small peptides that play an important role in disease defense. As the problem of pathogen resistance caused by the misuse of antibiotics intensifies, the identification of AMPs as alternatives to antibiotics has become a hot topic. Accurately identifying AMPs using computational methods has been a key issue in the field of bioinformatics in recent years. Although there are many machine learning-based AMP identification tools, most of them do not focus on or only focus on a few functional activities. Predicting the multiple activities of antimicrobial peptides can help discover candidate peptides with broad-spectrum antimicrobial ability. We propose a two-stage AMP predictor deep-AMPpred, in which the first stage distinguishes AMP from other peptides, and the second stage solves the multilabel problem of 13 common functional activities of AMP. deep-AMPpred combines the ESM-2 model to encode the features of AMP and integrates CNN, BiLSTM, and CBAM models to discover AMP and its functional activities. The ESM-2 model captures the global contextual features of the peptide sequence, while CNN, BiLSTM, and CBAM combine local feature extraction, long-term and short-term dependency modeling, and attention mechanisms to improve the performance of deep-AMPpred in AMP and its function prediction. Experimental results demonstrate that deep-AMPpred performs well in accurately identifying AMPs and predicting their functional activities. This confirms the effectiveness of using the ESM-2 model to capture meaningful peptide sequence features and integrating multiple deep learning models for AMP identification and activity prediction.
抗菌肽(AMPs)是在疾病防御中发挥重要作用的小肽。随着抗生素滥用导致的病原体耐药性问题加剧,将抗菌肽鉴定为抗生素替代品已成为热门话题。近年来,使用计算方法准确鉴定抗菌肽一直是生物信息学领域的关键问题。尽管有许多基于机器学习的抗菌肽鉴定工具,但其中大多数并不关注或仅关注少数功能活性。预测抗菌肽的多种活性有助于发现具有广谱抗菌能力的候选肽。我们提出了一种两阶段抗菌肽预测器deep-AMPpred,其中第一阶段将抗菌肽与其他肽区分开来,第二阶段解决抗菌肽13种常见功能活性的多标签问题。deep-AMPpred结合ESM-2模型对抗菌肽的特征进行编码,并整合卷积神经网络(CNN)、双向长短期记忆网络(BiLSTM)和卷积块注意力模块(CBAM)模型来发现抗菌肽及其功能活性。ESM-2模型捕获肽序列的全局上下文特征,而CNN、BiLSTM和CBAM结合局部特征提取、长期和短期依赖性建模以及注意力机制,以提高deep-AMPpred在抗菌肽及其功能预测方面的性能。实验结果表明,deep-AMPpred在准确鉴定抗菌肽及其功能活性预测方面表现良好。这证实了使用ESM-2模型捕获有意义的肽序列特征并整合多个深度学习模型进行抗菌肽鉴定和活性预测的有效性。