Abstract

The antimicrobial peptides (AMP) have been proposed as an alternative to control resistant pathogens. However, due to multifunctional properties of several AMP classes, until now there has been no way to perform efficient AMP identification, except through in vitro and in vivo tests. Nevertheless, an indication of activity can be provided by prediction methods. In order to contribute to the AMP prediction field, the CS-AMPPred (Cysteine-Stabilized Antimicrobial Peptides Predictor) is presented here, consisting of an updated version of the Support Vector Machine (SVM) model for antimicrobial activity prediction in cysteine-stabilized peptides. The CS-AMPPred is based on five sequence descriptors: indexes of (i) α-helix and (ii) loop formation; and averages of (iii) net charge, (iv) hydrophobicity and (v) flexibility. CS-AMPPred was based on 310 cysteine-stabilized AMPs and 310 sequences extracted from PDB. The polynomial kernel achieves the best accuracy on 5-fold cross validation (85.81%), while the radial and linear kernels achieve 84.19%. Testing in a blind data set, the polynomial and radial kernels achieve an accuracy of 90.00%, while the linear model achieves 89.33%. The three models reach higher accuracies than previously described methods. A standalone version of CS-AMPPred is available for download at <http://sourceforge.net/projects/csamppred/> and runs on any Linux machine.

Highlights

  • Microorganisms may cause enormous problems in diverse fields, including human health and agribusiness

  • 1Antimicrobial Peptide Classes, values computed through equation 1 (Sensitivity). #Non Antimicrobial Peptides, values computed through equation 2 (Specificity), using the 1364 sequences from Protein Data Bank (PDB) which were not included in negative data set (NS). doi:10.1371/journal.pone.0051444.t001

  • Benchmarking The blind data set was used to compare the models generated in this study with the algorithms Support Vector Machine (SVM), Discriminant Analysis (DA), and Random Forest (RF) from the Collection of Antimicrobial Peptides (CAMP) [23], an artificial neuro fuzzy inference system (ANFIS) [25] and the SVM model generated by our previous work [20]

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Summary

Introduction

Microorganisms may cause enormous problems in diverse fields, including human health and agribusiness. It has been proposed that physicochemical properties can be used as descriptors to predict the antimicrobial activity of cysteine-stabilized peptides by means of machine learning methods [20]. Since cysteine-stabilized AMPs are mostly multifunctional peptides, how is it possible to identify the sequences with antimicrobial activity?

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