Molecules (Dec 2022)

In Silico Comparative Exploration of Allergens of <i>Periplaneta americana</i>, <i>Blattella germanica</i> and <i>Phoenix dactylifera</i> for the Diagnosis of Patients Suffering from IgE-Mediated Allergic Respiratory Diseases

  • Mohd Adnan Kausar,
  • Tulika Bhardwaj,
  • Sadaf Anwar,
  • Fahaad Alenazi,
  • Abrar Ali,
  • Khalid Farhan Alshammari,
  • Shimaa Mohammed Hasnin AboElnaga,
  • Rajeev Singh,
  • Mohammad Zeeshan Najm

DOI
https://doi.org/10.3390/molecules27248740
Journal volume & issue
Vol. 27, no. 24
p. 8740

Abstract

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The burden of allergic illnesses is continuously rising, and patient diagnosis is a significant problem because of how intricately hereditary and environmental variables interact. The past three to four decades have seen an outbreak of allergies in high-income countries. According to reports on the illness, asthma affects around 300 million individuals worldwide. Identifying clinically important allergens for the accurate classification of IgE-mediated allergy respiratory disease diagnosis would be beneficial for implementing standardized allergen-associated therapy. Therefore, the current study includes an in silico analysis to identify potential IgE-mediated allergens in date palms and cockroaches. Such an immunoinformatic approach aids the prioritization of allergens with probable involvement in IgE-mediated allergic respiratory diseases. Immunoglobulin E (IgE) was used for molecular dynamic simulations, antigen–antibody docking analyses, epitope identifications, and characterizations. The potential of these allergens (Per a7, Per a 1.0102, and Bla g 1.0101) in IgE-mediated allergic respiratory diseases was explored through the evaluation of physicochemical characteristics, interaction observations, docking, and molecular dynamics simulations for drug and vaccine development.

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