In Silico Comparative Exploration of Allergens of Periplaneta Americana, Blattella Germanica and Phoenix Dactylifera for the Diagnosis of Patients Suffering from IgE-Mediated Allergic Respiratory Diseases

Author:

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

Abstract

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.

Funder

Scientific Research Deanship at University of Ha’il- Saudi Arabia

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

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