In silico design of multi-epitope-based vaccine for feverfew allergy

Aeroallergens are the primary cause of respiratory allergic diseases. Pollen from Feverfew (Parthenium hysterophorus) is a prevalent aeroallergen affecting Indian population. Presently, only one protein from feverfew, Par h 1, belonging to defensin-like protein family has been characterized as an allergen. In this study, computational methods of protein structure prediction and molecular dynamics have been employed to elucidate structural characteristics of Par h 1. Further, epitope mapping has been carried out to highlight probable B-cell and T-cell binding sites of Par h 1 with the prospective aim of designing potential in silico multi-epitope-based peptide vaccine constructs (MEBPVCs). Successfully, three MEBPVCs with good binding energetics with TLR5 receptor were obtained from molecular docking and simulations analysis. Our results substantiate the potential of designed in silico MEBPVCs as vaccine candidates for therapeutic usage in treatment of feverfew allergy.