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.
Mohd Adnan KausarTulika BhardwajSadaf AnwarFahaad AlenaziAbrar AliKhalid Farhan AlshammariShimaa Mohammed Hasnin AboElnagaRajeev SinghMohammad Zeeshan NajmPublished in: Molecules (Basel, Switzerland) (2022)
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.
Keyphrases
- molecular dynamics simulations
- allergic rhinitis
- molecular docking
- ejection fraction
- stem cells
- machine learning
- atopic dermatitis
- emergency department
- deep learning
- mental health
- small molecule
- protein protein
- case report
- respiratory tract
- mesenchymal stem cells
- adverse drug
- quality improvement
- climate change
- mass spectrometry
- bone marrow
- klebsiella pneumoniae
- prognostic factors
- data analysis