Analysis of E and NS proteins of dengue serotypes and identification of active binding sites for drug molecule

Abstract

ObjectiveTo analyze the E and NS proteins of four dengue virus (DENV) serotypes which involve in the formation of dengue fever and to find out the active binding sites on the surfaces of the above proteins to access with the effective drug molecule to counter dengue. MethodsClustalW analysis for phylogram, BLASTP analysis for E and NS proteins of DENV serotypes and Swiss-Prot for 3D structure of E and NS proteins were used. ResultsE proteins were grouped into two clusters, DENV-1, DENV-2 and DENV-3 forming one cluster and DENV-4 alone forming a different serotype. On the surfaces of E proteins of four serotypes, five binding sites for ligands were located in different DENV which the fourth binding site was identified as the active ligand binding site in DENV-2, DENV-3 and DENV-4 serotypes and second binding site in the DENV-1. Among the seven NS proteins, NS-1, NS-3 and NS-5 were identified as significant molecules involved in dengue disease. ConclusionsBinding sites, essential for ligand binding are found on all the E and NS proteins which active binding sites have been identified.