Prediction of B cell epitopes in envelope protein of dengue virus using immunoinformatics approach

In India, recent outbreaks of dengue virus infection have become a major public health issue. As a result, a vaccine to prevent the infection or a drug to cure it is urgently needed. Immunoinformatics methods were used to identify antigenic B-cell epitopes on dengue virus envelope protein. These epitopes will help in designing peptide vaccine that will activate the humoral response. Different tools were utilized in identifying linear and conformational B-cell epitopes detection on envelope protein. Allergenicity, toxicity and antigenicity were evaluated for all predicted B-cell epitopes. Comparative study has been deployed to compare the epitopes variability over the period of time and the effectiveness of the potential candidates for the other dengue serotypes. Commonly predicted linear and conformational B-cell epitopes by all servers were chosen. Two linear B-cell epitopes such as envelope_69–84 (TTASRCPTQGEPSLNE) and envelope_420–427 (WDFGSLGG) were forecasted by ABCpred and BepiPred servers. SEPPA 3.0 and Ellipro programs predicted envelope_68–82 (TTTASRCPTQGEPSL) and envelope_242–249 (NPHAKKQD) epitopes and four residues within envelope protein (Gly¹¹², Ile¹¹³, Gly³³⁰ and Ser³³¹) as components of conformational B-cell epitopes. Based on the antigenic score, the best epitopes LNRRRRT and WDFGSLGG having binding affinity of −7.323 kcal/mol and −7.580 kcal/mol from different strains have shown stability in the simulation study. These predicted epitopes have great potential in inducing immune responses in the vaccine development; however, in vitro and in vivo laboratory experimental confirmation is still required to validate viability of the application.