DeepAIPs-Pred: Predicting Anti-Inflammatory Peptides Using Local Evolutionary Transformation Images and Structural Embedding-Based Optimal Descriptors with Self-Normalized BiTCNs

Inflammation is a biological response to harmful stimuli, playing a crucial role in facilitating tissue repair by eradicating pathogenic microorganisms. However, when inflammation becomes chronic, it leads to numerous serious disorders, particularly in autoimmune diseases. Anti-inflammatory peptides (AIPs) have emerged as promising therapeutic agents due to their high specificity, potency, and low toxicity. However, identifying AIPs using traditional in vivo methods is time-consuming and expensive. Recent advancements in computational-based intelligent models for peptides have offered a cost-effective alternative for identifying various inflammatory diseases, owing to their selectivity toward targeted cells with low side effects. In this paper, we propose a novel computational model, namely, <b>DeepAIPs-Pred</b>, for the accurate prediction of AIP sequences. The training samples are represented using LBP-PSSM- and LBP-SMR-based evolutionary image transformation methods. Additionally, to capture contextual semantic features, we employed attention-based ProtBERT-BFD embedding and QLC for structural features. Furthermore, differential evolution (DE)-based weighted feature integration is utilized to produce a multiview feature vector. The SMOTE-Tomek Links are introduced to address the class imbalance problem, and a two-layer feature selection technique is proposed to reduce and select the optimal features. Finally, the novel self-normalized bidirectional temporal convolutional networks (SnBiTCN) are trained using optimal features, achieving a significant predictive accuracy of 94.92% and an AUC of 0.97. The generalization of our proposed model is validated using two independent datasets, demonstrating higher performance with the improvement of ∼2 and ∼10% of accuracies than the existing state-of-the-art model using Ind-I and Ind-II, respectively. The efficacy and reliability of <b>DeepAIPs-Pred</b> highlight its potential as a valuable and promising tool for drug development and research academia.

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Publication Details

Journal
Journal of Chemical Information and Modeling
Published
2024-12-03
DOI
https://doi.org/10.1021/acs.jcim.4c01758
Citations
56
Primary Topic
vaccines and immunoinformatics approaches
Type
article
Field-Weighted Citation Impact
13.09

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article

DeepAIPs-Pred: Predicting Anti-Inflammatory Peptides Using Local Evolutionary Transformation Images and Structural Embedding-Based Optimal Descriptors with Self-Normalized BiTCNs

Shahid Akbar, Quan Zou, Matee Ullah, Ali Raza et al.
56 citations
Journal of Chemical Information and Modeling
vaccines and immunoinformatics approaches
13.09
article

DeepAIPs-Pred: Predicting Anti-Inflammatory Peptides Using Local Evolutionary Transformation Images and Structural Embedding-Based Optimal Descriptors with Self-Normalized BiTCNs

Shahid Akbar, Quan Zou, Matee Ullah, Ali Raza, Wajdi Alghamdi
article en
56 citations

Abstract

Inflammation is a biological response to harmful stimuli, playing a crucial role in facilitating tissue repair by eradicating pathogenic microorganisms. However, when inflammation becomes chronic, it leads to numerous serious disorders, particularly in autoimmune diseases. Anti-inflammatory peptides (AIPs) have emerged as promising therapeutic agents due to their high specificity, potency, and low toxicity. However, identifying AIPs using traditional in vivo methods is time-consuming and expensive. Recent advancements in computational-based intelligent models for peptides have offered a cost-effective alternative for identifying various inflammatory diseases, owing to their selectivity toward targeted cells with low side effects. In this paper, we propose a novel computational model, namely, <b>DeepAIPs-Pred</b>, for the accurate prediction of AIP sequences. The training samples are represented using LBP-PSSM- and LBP-SMR-based evolutionary image transformation methods. Additionally, to capture contextual semantic features, we employed attention-based ProtBERT-BFD embedding and QLC for structural features. Furthermore, differential evolution (DE)-based weighted feature integration is utilized to produce a multiview feature vector. The SMOTE-Tomek Links are introduced to address the class imbalance problem, and a two-layer feature selection technique is proposed to reduce and select the optimal features. Finally, the novel self-normalized bidirectional temporal convolutional networks (SnBiTCN) are trained using optimal features, achieving a significant predictive accuracy of 94.92% and an AUC of 0.97. The generalization of our proposed model is validated using two independent datasets, demonstrating higher performance with the improvement of ∼2 and ∼10% of accuracies than the existing state-of-the-art model using Ind-I and Ind-II, respectively. The efficacy and reliability of <b>DeepAIPs-Pred</b> highlight its potential as a valuable and promising tool for drug development and research academia.

Journal of Chemical Information and ModelingVol. 64(24)
University of Electronic Science and Technology of China (CN), Abdul Wali Khan University Mardan (PK), King Abdulaziz University (SA), Quzhou University (CN)
National Natural Science Foundation of China, National Key Research and Development Program of China
Zero hunger
Openalex Percentile: Top 1%
vaccines and immunoinformatics approaches
13.09
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