In silico Comparative Analysis of the Pathogenicity and Molecular Characteristics of Toxic Shock Syndrome Caused by Staphylococcus aureus and Streptococcus pyogenes

Relika Balatcopo Maglinao; Jillian Mikaela Velasco Jamito; Lyndon Manalastas Kalaw,; Lyndon Manalastas Kalaw,; Joan Mari Magsombol Lim; Graziele Ann Lanting Manimtim; Ania Lisa Galisanao Marcelo; Kiana Ajiah Capili Nefulda; Earl Adriane Abella Cano

Asian Journal of Biological and Life Sciences,2024,13,2,472-480.

DOI:10.5530/ajbls.2024.13.59

Published:September 2024

Type:Research Article

Authors:

Author(s) affiliations:

Relika Balatcopo Maglinao*, Jillian Mikaela Velasco Jamito, Lyndon Manalastas Kalaw, Elara Ysabelle Nava Laud, Joan Mari Magsombol Lim, Graziele Ann Lanting Manimtim, Ania Lisa Galisanao Marcelo, Kiana Ajiah Capili Nefulda, Earl Adriane Abella Cano

Department of Medical Technology, Institute of Health Sciences and Nursing, Far Eastern University-Manila, Nicanor Reyes St., Sampaloc, Manila, Metro Manila, PHILIPPINES.

Abstract:

Background: Toxic Shock Syndrome (TSS) is a medical condition caused by Staphylococcus aureus and Streptococcus pyogenes, affecting T-Cell Receptors (TCRs) and Major Histocompatibility Complex (MHC) in both healthy and immunocompromised individuals. Aim: The study identifies the pathogenicity of S. aureus and S. pyogenes by analyzing the molecular characteristics of the causative proteins in TSS development, TSST-1, or Toxic Shock Syndrome Toxin, in S. aureus and the Streptococcal Pyrogenic Exotoxins SpeA and SpeC in S. pyogenes. Materials and Methods: Through in silico analysis, the protein sequences were obtained from the NCBI GenBank and ran for physicochemical profiling with ProtParam and PsortB, the secondary structure determination with PROTEUS2 and Phyre2. Predicted Antigenic Peptide software served to compare the antigenic capacity. Homology modeling through SWISS-MODEL was validated using QMEANDisCo and GMQE scores, then DeepGOWeb for its function identification. Results: The analysis revealed SpeA as the most antigenic, with antigen-presenting cells and molecular function in toxin and binding activities. TSST-1 and SpeC also showed antigenicity levels, with TSST-1 being the most antigenic due to its hydrophilic nature. SpeC, with its lowest cellular process and intracellular structure, is primarily deficient in inducing TSS in patients. Conclusion: The study’s data will aid in the intervention of TSS patients, particularly immunocompromised individuals, benefiting them and public health.