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Comparative Modeling Reveals the Structure of Staphylococcus aureus Enterotoxin D

DOI: http://dx.doi.org/10.15601/2238-1945/pcnb.v3n6p91-105

http://www3.izabelahendrix.edu.br/ojs/index.php/bio/index 

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André F. L. Bernardes1 & Mainá Bitar2

 

Abstract: The Staphylococcal food poisoning (SFP) is a toxin-mediated intoxication that results from the ingestion of significant amounts of bacterial enterotoxin from contaminated food. SFP symptoms emerge rapidly (2-8 hours after ingestion) and include vomiting, diarrhea, nausea and abdominal pain. Among the bacterial species that produce such toxins, S. aureus is one of the most relevant, being responsible for 759 SFP outbreaks in Brazil, between the years of 2000 and 2013. There are currently approximately 20 different types of S. aureus enterotoxins (SEs) and several molecular variants. There are total of 60 structures of SEs deposited in the Protein Data Bank (PDB), being 30 of isolated SEs and 30 in complex with other human (29 structures) or murine (1 structure) proteins. Despite the high number of representations in the PDB, most of these are redundant and the 60 deposited structures represent only 8 different SEs: SEA, SEB, SEC2, SEC3, SEG, SEH, SEI, SEK and TSST1. The revealing of the structure of the enterotoxin D (SED) of S. aureus represents an important breakthrough, especially since this protein is the second most prevalent in SFP cases. The structure of SED will help to elucidate its molecular function, the involvement in biochemical and physiological mechanisms. Currently, the molecular modeling of proteins allows one to obtain structural results in a short time-frame and with low cost, being considered as an important tool for bioprospecting, often anticipating and guiding laboratory experiments.

Key words: comparative modeling, Staphylococcal Enterotoxin D, food poisoning

 

Resumo: A intoxicação alimentar estafilocócica (SFP) é uma intoxicação resultante do consumo de alimentos contendo quantidades significativas de enterotoxinas bacterianas. Os sintomas da SFP têm um início rápido (2-8 horas) e incluem vômitos, náuseas violentas, cólicas abdominais e diarreia. Dentre as espécies produtoras de enterotoxinas capazes de deflagrar tais sintomas, a bactéria Staphylococcus aureus é uma das mais relevantes, sendo responsável por 759 surtos de toxinfecção de origem alimentar ocorridos entre os anos 2000 e 2013, somente no Brasil. Existem, atualmente, identificadas cerca de 20 tipos de enterotoxinas estafilocócicas (SEs), e algumas de suas variantes moleculares. Há um total de 60 estruturas envolvendo SEs depositadas no Protein Data Bank (PDB), sendo 30 SEs isoladas, 29 em complexos com proteínas humanas e um com uma proteína murina. Apesar do alto número de representações no PDB, muitas SEs são redundâncias e as 60 entradas representam apenas 8 SEs: SEA, SEB, SEC2, SEC3, SEG, SEH, SEI, SEK além da TSST1. A elucidação da estrutura da enterotoxina D (SED) de Staphylococcus spp representa um importante avanço, em especial por esta proteína ser a segunda mais prevalente nos casos de intoxicação alimentar. A estrutura da SED auxiliará a elucidação de suas funções moleculares e envolvimento em mecanismos bioquímicos e fisiológicos. Atualmente, a modelagem comparativa de proteínas permite a obtenção de resultados estruturais em um curto espaço de tempo e com um baixo custo associado, tornando-se uma importante ferramenta de bioprospecção que antecede e muitas vezes guiam os experimentos laboratoriais.

Palavras-chave: modelagem comparativa, enterotoxinas estafilocócica D, intoxicação alimentar

 

1 Undergraduate in Biological Sciences at Universidade Federal de Minas Gerais (UFMG) - Brasil, CEP 31270-901. Health and Technology worker at Fundação Ezequiel Dias (FUNED/MG) – Brasil, CEP: 30510-010. Laboratory of Food Microbiology and Enterotoxins. E-mail: andrefelipeleal@yahoo.com.br
2 PhD in Bioinformatics at Universidade Federal de Minas Gerais (UFMG), Belo Horizonte/MG - Brasil, CEP: 31270-901. E-mail: mbitarufmg@gmail.com

 

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