DP-site: A dual deep learning-based method for protein-peptide interaction site prediction.

ABSTRACT

BACKGROUND: Protein-peptide interaction prediction is an important topic for several applications including various biological processes, understanding drug discovery, protein function abnormal cellular behaviors, and treating diseases. Over the years, studies have shown that experimental methods have improved the identification of this bio-molecular interaction. However, predicting protein-peptide interactions using these methods is laborious, time-consuming, dependent on third-party tools, and costly. METHOD: To address these previous drawbacks, this study introduces a computational framework called DP-Site. The proposed framework concentrates on using a compound of a dual pipeline along with a combination predictor. A deep convolutional neural network for feature extraction and classification is embedded in pipeline 1. In addition, pipeline 2 includes a deep long-short-term memory-based and a random forest classifier for feature extraction and classification. In this investigation, the evolutionary, structure-based, sequence-based, and physicochemical information of proteins is utilized for identifying protein-peptide interaction at the residue level. RESULTS: The proposed method is evaluated on both the ten-fold cross-validation and independent test sets. The robust and consistent results between cross-validation and independent test sets confirm the ability of the proposed method to predict peptide binding residues in proteins. Moreover, experimental findings demonstrate that DP-Site has significantly outperformed other state-of-the-art sequence-based and structure-based methods. The proposed method achieves a remarkable balance between a specificity of 0.799 and a sensitivity of 0.770, along with the best f-measure of 0.661 and the highest precision of 0.580 using an independent test set. CONCLUSIONS: The outcome of various experiments confirms the proficiency of the proposed method and outperforms state-of-the-art sequence-based and structure-based methods in terms of the mentioned criteria. DP-Site can be accessed at https//github.com/shafiee 95/shima.shafiee.DP-Site.