In Silico Epitope-Based Vaccine Prediction against Fungal Infection Aspergillosis

Aspergillus fumigatus is a pathogenic microorganism that causes aspergillosis due to the presence of its allergenic proteins. During last two years, few clinical cases have been reported where allergic bronchopulmonary (ABPA) has detected in COVID-19 patients. The administration antifungal medicine did not provide satisfactory results. It challenging job for medical scientists protect mankind by designing an epitope-based vaccine against rare disease aspergillosis. Other than twenty-three proteins, this contains extra-cellular cellulase CelA expansin protein (Afu5g08030), which allergenic. To design peptide aspergillosis, identification B cell and T epitopes state-of-the-art technology. In our latest research, probable are predicted. Molecular docking analysis these predicted with their receptors performed. Here, primary sequence extracted analyzed. Then, secondary tertiary structures using homology modeling method validated. Considering physicochemical properties antigenic protein, short stretches peptides, namely 80KPQADEDPNASSSSSSS96 286DGGKTWQGTTRTS298, as linear epitopes. Similarly, based on contacts highest number alleles, 221LDLFQNAFTQLADVS235 chosen most possible epitope present binding energy MHC II allele HLA-DRB1* 01: 01. IgE, second 286DGGKTWQGTTRTS298 designated potential cells protein. Docking studies were performed human ternary complex receptor, CD4 peptide-MHC molecule (PDB ID 3T0E) −192 Kcal/mole. For peptide-based vaccines, proposed may be used after further experimental analysis.