Abstract

PHARMACOPHORE BASED VIRTUAL SCREENING AND MOLECULAR DOCKING STUDIES OF INHERITED COMPOUNDS AGAINST EBOLA VIRUS RECEPTOR PROTEINS

Ronak Shah, Pritam Kumar Panda*, Priyam Patel and Dr. Hetalkumar Panchal

ABSTRACT

Ebola virus is a single-stranded, negative-sense RNA virus that causes severe hemorrhagic fever in humans and nonhuman primates. This virus is unreceptive to a large portion of the known antiviral drugs and there is no valid treatment as of date for the disease created by this pathogen. Looking into its ability to create a pandemic scenario across globe; there is an utmost need for new drugs and therapy to combat this life threatening infection. The current study deals with the evaluation of the selected 56 compounds against the three receptors of Ebola virus receptor proteins. The Ebola Virus protein receptors VP40, VP35 and VP24 were docked with these selected compounds and evaluated on the basis of total energy and binding affinity scores. These studies showed that Deslanoside and Digoxin have high binding affinity and exhibit better interactions in all the Ebola Virus Protein receptors when compared with that of the existing compounds. All the screened compounds are being used on human; hence they can be taken as anti-Ebola therapy i.e. inhibitors for hemorrhagic fever in humans and nonhuman primates.

Keywords: Ebola virus, Docking, Virtual-screening, Deslanoside, Digoxin, hemorrhagic fever.