In silico comparative study of structural homology modeling on envelope (E) glycoprotein of dengue viruses (Denv)

Abstract

Dengue infection has become global epidemic health problem. The specific drugs for treatment and effective vaccination for prevention of dengue infection against four types of DENV serotypes are currently unknown. The envelope (E) glycoprotein is responsible in viral attachment to cell surface receptors. Homology modelling on E glycoprotein of dengue viruses (DENV) Type 1–4 was constructed using SWISS-MODEL database. The target sequence retrieved from Clustal Omega. The homology model of three dimensional structures was evaluated and checked for quality estimation using PROCHECK, VERIFY 3D and ERRAT server. Multiple structure alignment was analysed using PDBeFold. DENV1 has the highest quality structure while DEN2 has the lowest quality structure. Multiple structural alignments showed that DENV2 and DENV3 have the highest sequence similarity. The structural alignment showed that DENV2 and DENV3 had the lowest RMSD score (1.325), and the highest Q score (0.4433). The homology model structure of DENV2 was the most similar and closely related to the other three homology model structures of DENV serotypes. In conclusion, the homology model of three-dimensional structures on E glycoprotein of each DENV serotype was successfully obtained and can be used for further investigations on E glycoprotein of dengue viruses (DENV) Type 1–4.