Small Molecules Screening Against Type 2 dengue virus envelope protein (DenV e) from Phyto Antiviral Ligands–An Insilico Analysis

Manikandan.P, Muthu selvam.A, Manibalan.S* 
Department of Biotechnology, Kamaraj College of Engineering and Technology, Virudhunagar, India
NCADDD, 25 July 2014, Organized by Department of Pharmaceutical Technology, Anna University, BIT Campus, Tiruchirappalli–620024, Tamil Nadu, India

Abstract
Dengue fever is one of the mosquito-borne diseases caused by all the four serotypes of Dengue viruses (DenV1, V2, V3, and V4). Dengue viruses are single positive-stranded RNA virus, its genome codes for three structural proteins and seven nonstructural proteins, among these the glycosylated envelope protein is major surface protein and mediate both cell attachment and fusion with host cellular membrane. 158 Ligands from medicinal plants were screened against DenV adhesion. Structures of DenV E protein and ligands were downloaded and used to further modifications and analysis like Lipinski drug filter analysis, removal of hetero atoms, energy minimization, docking, binding site analysis and toxicity analysis by using Koba^MIN, Openbabel, PYRX, PYMOL, chimera, ADME Tox . Naringenin, Quercetin and Fisetin molecules show excellent docking results with very minimal toxicity.
Keywords: DenV E protein, Koba^MIN server, Openbael, ADME Tox and Chimera-1.8rc, Naringenin, Quercetin and Fisetin.