加速抗菌肽设计:利用深度学习实现快速发现。

IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
PLoS ONE Pub Date : 2024-12-20 eCollection Date: 2024-01-01 DOI:10.1371/journal.pone.0315477
Ahmad M Al-Omari, Yazan H Akkam, Ala'a Zyout, Shayma'a Younis, Shefa M Tawalbeh, Khaled Al-Sawalmeh, Amjed Al Fahoum, Jonathan Arnold
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引用次数: 0

摘要

本文章由计算机程序翻译,如有差异,请以英文原文为准。
Accelerating antimicrobial peptide design: Leveraging deep learning for rapid discovery.

Antimicrobial peptides (AMPs) are excellent at fighting many different infections. This demonstrates how important it is to make new AMPs that are even better at eliminating infections. The fundamental transformation in a variety of scientific disciplines, which led to the emergence of machine learning techniques, has presented significant opportunities for the development of antimicrobial peptides. Machine learning and deep learning are used to predict antimicrobial peptide efficacy in the study. The main purpose is to overcome traditional experimental method constraints. Gram-negative bacterium Escherichia coli is the model organism in this study. The investigation assesses 1,360 peptide sequences that exhibit anti- E. coli activity. These peptides' minimal inhibitory concentrations have been observed to be correlated with a set of 34 physicochemical characteristics. Two distinct methodologies are implemented. The initial method involves utilizing the pre-computed physicochemical attributes of peptides as the fundamental input data for a machine-learning classification approach. In the second method, these fundamental peptide features are converted into signal images, which are then transmitted to a deep learning neural network. The first and second methods have accuracy of 74% and 92.9%, respectively. The proposed methods were developed to target a single microorganism (gram negative E.coli), however, they offered a framework that could potentially be adapted for other types of antimicrobial, antiviral, and anticancer peptides with further validation. Furthermore, they have the potential to result in significant time and cost reductions, as well as the development of innovative AMP-based treatments. This research contributes to the advancement of deep learning-based AMP drug discovery methodologies by generating potent peptides for drug development and application. This discovery has significant implications for the processing of biological data and the computation of pharmacology.

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来源期刊
PLoS ONE
PLoS ONE 生物-生物学
CiteScore
6.20
自引率
5.40%
发文量
14242
审稿时长
3.7 months
期刊介绍: PLOS ONE is an international, peer-reviewed, open-access, online publication. PLOS ONE welcomes reports on primary research from any scientific discipline. It provides: * Open-access—freely accessible online, authors retain copyright * Fast publication times * Peer review by expert, practicing researchers * Post-publication tools to indicate quality and impact * Community-based dialogue on articles * Worldwide media coverage
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