Abstract

Antioxidant proteins (AOPs) play important roles in the management and prevention of several human diseases due to their ability to neutralize excess free radicals. However, the identification of AOPs by using wet-lab experimental techniques is often time-consuming and expensive. In this study, we proposed an accurate computational model, called AOP-HMM, to predict AOPs by extracting discriminatory evolutionary features from hidden Markov model (HMM) profiles. First, auto cross-covariance (ACC) variables were applied to transform the HMM profiles into fixed-length feature vectors. Then, we performed the analysis of variance (ANOVA) method to reduce the dimensionality of the raw feature space. Finally, a support vector machine (SVM) classifier was adopted to conduct the prediction of AOPs. To comprehensively evaluate the performance of the proposed AOP-HMM model, the 10-fold cross-validation (CV), the jackknife CV, and the independent test were carried out on two widely used benchmark datasets. The experimental results demonstrated that AOP-HMM outperformed most of the existing methods and could be used to quickly annotate AOPs and guide the experimental process.

Highlights

  • A free radical is an atom, molecule, or ion that has an unpaired valence electron, making it highly reactive with other molecules [1]

  • The D1 dataset contains 253 Antioxidant proteins (AOPs) and 1552 non-AOPs, which was constructed by Feng et al [14, 15] according to the following three rigorous criteria: (1) only proteins with the experimentally validated antioxidant activity were collected from the UniProt database [33]; (2) proteins with unknown residues, such as “X”, “Z”, or “B”, were excluded due to their indeterminate meanings; and (3) those proteins that have more than 60% sequence identity with any other sequences were eliminated

  • The value of Sen was significantly improved from 0.2964 to 0.6324. This demonstrated that evolutionary information in the form of hidden Markov model (HMM) profiles could play crucial roles in the prediction of AOPs

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Summary

Introduction

A free radical is an atom, molecule, or ion that has an unpaired valence electron, making it highly reactive with other molecules [1]. Zhang et al put forward an RF-based method to distinguish AOPs from non-AOPs by incorporating g-gap dipeptide compositions and the position-specific scoring matrix (PSSM) [16]. Their model showed an excellent Acc of 80.7% when tested on an independent dataset [16]. The optimal ACC features were selected by the ANOVA method and input to an SVM classifier to perform the prediction of AOPs. the synthetic minority oversampling technique (SMOTE) [32] was adopted to deal with the unbalanced data.

Materials and Methods
Feature Extraction
Results and Discussion
Methods
Conclusions

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