dsAMP和dsAMPGAN:用于抗菌肽识别和生成的深度学习网络。

IF 4.3 2区 医学 Q1 INFECTIOUS DISEASES
Min Zhao, Yu Zhang, Maolin Wang, Luyan Z Ma
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引用次数: 0

摘要

抗生素耐药性是一个日益严峻的公共卫生挑战。抗菌肽(AMPs)通过非特异性机制有效靶向微生物,限制其产生抗药性的能力。因此,预测和设计新的抗菌肽至关重要。最近,深度学习激发了人们对多肽药物发现计算方法的兴趣。本研究提出了一种用于 AMP 分类、功能预测和生成的新型深度学习框架。我们利用 CNN Attention BiLSTM 和迁移学习开发了一种稳健的 AMP 预测器 discoverAMP(dsAMP),其性能优于现有的分类器。此外,基于生成对抗网络(GAN)的dsAMPGAN 模型还能生成新的 AMP 候选。我们的研究结果表明,dsAMP 在灵敏度、特异性、马太相关系数、准确度、精确度、F1 分数和 ROC 曲线下面积等方面都表现出色,在一个小型数据集上通过迁移学习达到了大于 95% 的分类准确率。此外,dsAMPGAN 还成功合成了与天然 AMP 相似的 AMP,这一点已通过物理和化学性质的比较得到证实。该模型是在临床环境中鉴定新型 AMPs 的可靠工具,有助于开发 AMPs 以有效对抗抗生素耐药性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
dsAMP and dsAMPGAN: Deep Learning Networks for Antimicrobial Peptides Recognition and Generation.

Antibiotic resistance is a growing public health challenge. Antimicrobial peptides (AMPs) effectively target microorganisms through non-specific mechanisms, limiting their ability to develop resistance. Therefore, the prediction and design of new AMPs is crucial. Recently, deep learning has spurred interest in computational approaches to peptide drug discovery. This study presents a novel deep learning framework for AMP classification, function prediction, and generation. We developed discoverAMP (dsAMP), a robust AMP predictor using CNN Attention BiLSTM and transfer learning, which outperforms existing classifiers. In addition, dsAMPGAN, a Generative Adversarial Network (GAN)-based model, generates new AMP candidates. Our results demonstrate the superior performance of dsAMP in terms of sensitivity, specificity, Matthew correlation coefficient, accuracy, precision, F1 score, and area under the ROC curve, achieving >95% classification accuracy with transfer learning on a small dataset. Furthermore, dsAMPGAN successfully synthesizes AMPs similar to natural ones, as confirmed by comparisons of physical and chemical properties. This model serves as a reliable tool for the identification of novel AMPs in clinical settings and supports the development of AMPs to effectively combat antibiotic resistance.

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来源期刊
Antibiotics-Basel
Antibiotics-Basel Pharmacology, Toxicology and Pharmaceutics-General Pharmacology, Toxicology and Pharmaceutics
CiteScore
7.30
自引率
14.60%
发文量
1547
审稿时长
11 weeks
期刊介绍: Antibiotics (ISSN 2079-6382) is an open access, peer reviewed journal on all aspects of antibiotics. Antibiotics is a multi-disciplinary journal encompassing the general fields of biochemistry, chemistry, genetics, microbiology and pharmacology. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of papers.
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