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Deep-AmPEP30: Improve Short Antimicrobial Peptides Prediction with Deep Learning

机译:Deep-AmPEP30:通过深度学习改善短的抗菌肽预测

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摘要

Antimicrobial peptides (AMPs) are a valuable source of antimicrobial agents and a potential solution to the multi-drug resistance problem. In particular, short-length AMPs have been shown to have enhanced antimicrobial activities, higher stability, and lower toxicity to human cells. We present a short-length (≤30 aa) AMP prediction method, Deep-AmPEP30, developed based on an optimal feature set of PseKRAAC reduced amino acids composition and convolutional neural network. On a balanced benchmark dataset of 188 samples, Deep-AmPEP30 yields an improved performance of 77% in accuracy, 85% in the area under the receiver operating characteristic curve (AUC-ROC), and 85% in area under the precision-recall curve (AUC-PR) over existing machine learning-based methods. To demonstrate its power, we screened the genome sequence of —a gut commensal fungus expected to interact with and/or inhibit other microbes in the gut—for potential AMPs and identified a peptide of 20 aa (P3, FWELWKFLKSLWSIFPRRRP) with strong anti-bacteria activity against and . The potency of the peptide is remarkably comparable to that of ampicillin. Therefore, Deep-AmPEP30 is a promising prediction tool to identify short-length AMPs from genomic sequences for drug discovery. Our method is available at for both individual sequence prediction and genome screening for AMPs.
机译:抗菌肽(AMPs)是抗菌剂的重要来源,也是解决多药耐药性问题的潜在解决方案。特别是,短长度AMP已显示出增强的抗菌活性,更高的稳定性和对人体细胞的较低毒性。我们提出了一种基于PseKRAAC减少的氨基酸组成和卷积神经网络的最佳特征集开发的短时(≤30aa)AMP预测方法Deep-AmPEP30。在包含188个样本的平衡基准数据集上,Deep-AmPEP30的准确度提高了77%,接收器工作特性曲线(AUC-ROC)下的面积提高了85%,精确调用曲线下的面积提高了85%。 (AUC-PR)超越现有的基于机器学习的方法。为了证明其功能,我们筛选了可能与肠道内的其他微生物相互作用和/或抑制肠道内其他微生物的肠道共生真菌的基因组序列,并鉴定了具有20个氨基酸的肽(P3,FWELWKFLKSLWSIFPRRRP),具有较强的抗菌作用针对和的活动。该肽的效力与氨苄青霉素相当。因此,Deep-AmPEP30是一种有前途的预测工具,可从基因组序列中识别短程AMP,以进行药物发现。我们的方法可用于AMP的单个序列预测和基因组筛选。

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