Abstract
AbstractAs a result of increased healthcare requirements and the introduction of genetically modified foods, the problem of allergies is becoming a growing health problem. The concept of allergies has prompted the use of new methods such as genomics and proteomics to uncover the nature of allergies. In the present study, a selection of 1400 food proteins was analysed by PLS-DA (Partial Least Square-based Discriminant Analysis) after suitable transformation of structural parameters into uniform vectors. Then, the resulting strings of different length were converted into vectors with equal length by Auto and Cross-Covariance (ACC) analysis. Hierarchical and non-hierarchical (K-means) Cluster Analysis (CA) was also performed in order to reach a certain level of separation within a small training set of plant proteins (16 allergenic and 16 non-allergenic) using a new three-dimensional descriptor based on surface protein properties in combination with amino acid hydrophobicity scales. The novelty of the approach in protein differentiation into allergenic and non-allergenic classes is described in the article.The general goal of the present study was to show the effectiveness of a traditional chemometric method for classification (PLS–DA) and the options of Cluster Analysis (CA) to separate by multivariate statistical methods allergenic from non-allergenic proteins.
Highlights
Allergies represent one of the most important health problems faced by humanity
The structure of proteins was described by the five E-descriptors and each protein was transformed into a string of 200 variables, applying ACCtransformation, as described in “Datasets and Methods”
The two-class matrix consisting of 240 proteins and 200 variables was subjected to Partial Least Squares-based Discriminant Analysis (PLS-Discriminant Analysis (DA)) with numbers of principal components varying from 1 to 4
Summary
Allergies represent one of the most important health problems faced by humanity. Allergic reactions are caused by various food sources such as eggs, soybeans, fruits, vegetables, marine and dairy products [1,2,3,4,5]. The introduction of genetically modified foods have made allergies an even more concerning problem. The term “allergy” was introduced in 1906 by the Austrian pediatrician Clemens Pirquet to indicate the altered reaction in some children injected prophylactically with an anti-infiltrating vaccine. The body’s reactivity to the effects of certain factors called allergens has been altered or impaired. Allergens provoke the body to produce neutralizing antibodies. The reaction of the interaction between allergens and antibodies can go unnoticed
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