In silico comparative structural and functional analysis of dengue virus (Serotypes 1 to 4) envelope protein

Abstract

Dengue virus is classified into serotypes, DENV-1, DENV-2, DENV-3, and DENV-4, causing symptoms from mild fevers to severe complications. This study comparatively analyzes the structural and functional variations of envelope (E) protein across DENV serotypes through computational methods. Multiple sequence alignment, physicochemical characterization, and secondary and tertiary structural comparison are conducted using ClustalW, ProtParam, and SWISS-MODEL. DENV-1 and DENV-3 E proteins show the highest identity, while DENV-4 E protein has the lowest conserved regions. Findings also indicate that DENV-1 has the highest ability to severely infect, specifically in a host cell attachment. Structurally, DENV-2 is the most stable, while DENV-4 is the least pathogenic. Quantitative comparisons reveal statistically significant variation across serotypes, indicating variances in virion assembly, host binding, and infectivity. The computational analysis contributes to the molecular understanding of E protein. However, further characterizing serotype-specific variations in genotype-based studies is necessary due to the molecular diversity within each serotype.