ABPCaps: A Novel Capsule Network-Based Method for the Prediction of Antibacterial Peptides

Author:

Yao Lantian12ORCID,Pang Yuxuan13,Wan Jingting34,Chung Chia-Ru25,Yu Jinhan34,Guan Jiahui4,Leung Clement1,Chiang Ying-Chih24ORCID,Lee Tzong-Yi678

Affiliation:

1. School of Science and Engineering, The Chinese University of Hong Kong (Shenzhen), 2001 Longxiang Road, Shenzhen 518172, China

2. Kobilka Institute of Innovative Drug Discovery, School of Medicine, The Chinese University of Hong Kong (Shenzhen), 2001 Longxiang Road, Shenzhen 518172, China

3. Warshel Institute for Computational Biology, The Chinese University of Hong Kong (Shenzhen), 2001 Longxiang Road, Shenzhen 518172, China

4. School of Medicine, The Chinese University of Hong Kong (Shenzhen), 2001 Longxiang Road, Shenzhen 518172, China

5. School of Life Sciences, University of Science and Technology of China, Hefei 230026, China

6. Institute of Bioinformatics and Systems Biology, National Yang Ming Chiao Tung University, Hsinchu 300, Taiwan

7. Department of Biological Science and Technology, College of Biological Science and Technology, National Yang Ming Chiao Tung University, Hsinchu 300, Taiwan

8. Center for Intelligent Drug Systems and Smart Bio-Devices (IDS2B), National Yang Ming Chiao Tung University, Hsinchu 300, Taiwan

Abstract

The emergence of drug resistance among pathogens has become a major challenge to human health on a global scale. Among them, antibiotic resistance is already a critical issue, and finding new therapeutic agents to address this problem is therefore urgent. One of the most promising alternatives to antibiotics are antibacterial peptides (ABPs), i.e., short peptides with antibacterial activity. In this study, we propose a novel ABP recognition method, called ABPCaps. It integrates a convolutional neural network (CNN), a long short-term memory (LSTM), and a new type of neural network named the capsule network. The capsule network can extract critical features automatically from both positive and negative samples, leading to superior performance of ABPCaps over all baseline models built on hand-crafted peptide descriptors. Evaluated on independent test sets, ABPCaps achieves an accuracy of 93.33% and an F1-score of 91.34%, and consistently outperforms the baseline models in other extensive experiments as well. Our study demonstrates that the proposed ABPCaps, built on the capsule network method, is a valuable addition to the current state-of-the-art in the field of ABP recognition and has significant potential for further development.

Funder

Guangdong Province Basic and Applied Basic Research Fund

National Natural Science Foundation of China

Science, Technology and Innovation Commission of Shenzhen Municipality

Ganghong Young Scholar Development Fund

Shenzhen-Hong Kong Cooperation Zone for Technology and Innovation

Center for Intelligent Drug Systems and Smart Bio-devices

Chinese University of Hong Kong, Shenzhen

Kobilka Institute of Innovative Drug Discovery, The Chinese University of Hong Kong, Shenzhen, China

Publisher

MDPI AG

Subject

Fluid Flow and Transfer Processes,Computer Science Applications,Process Chemistry and Technology,General Engineering,Instrumentation,General Materials Science

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