Structural modeling of natural citrus products as potential cross-strain inhibitors of Dengue virus

Abstract

There are four serotypes of Dengue virus and there are existing drugs used against specific serotype. There is no drug that is effective against all strains of this virus. In this research, bioinformatics tools were used to predict the affinity of natural ligands for the glycoprotein E of Dengue virus by considering the conserved domains. Molecular docking studies were carried out by using Autodock 3.0. Computational analysis which showed that two ligands have the potential to inhibit the site in glycoprotein E and control of all strains is now possible by these ligands.

Key words: Bioinformatics, multivariate drug designing, Dengue virus, in silico drug for dengue, glycoprotein E, conserved domain.