Pharmaco-informatics: Homology modelling of the target protein (GP1, 2) for Ebola hemorrhagic fever and predicting an Ayurvedic remediation of the disease

Abstract

Ebola hemorrhagic fever (Ebola HF) is caused by infection with Ebola Virus. Ebola virus, a member of the family Filoviridae, causes one of the most severe forms of viral hemorrhagic fever. In the final stages of the disease, symptoms progress to hypotension, coagulation disorders, and hemorrhages, and there is prominent involvement of the mononuclear phagocytic and reticulo-endothelial systems. It is assumed that the functions of the envelope glycoprotein are likely to play important roles in the pathogenicity of Ebola virus and the interactions of some viral proteins with the immune system are likely to play important roles in the extraordinary pathogenicity of this virus. Ebola virus (EBOV) entry requires the surface glycoprotein (GP) to initiate attachment and then fusion occurs between viral and host membranes. All glycoprotein forms are encoded by gene 4 of the EBOV genome. The strain selected is VGP_EBOSU with accession number Q7T9D9 of Sudan Ebola Virus - Uganda (2000) from NCBI'S entrez database. The 3D structure of Ebola Virus Protein was generated using Homology Modelling. For a predicted evaluation Andrographolide is used (the compound needs clinical trials to prove its efficacy in treatment). The 3D structure of Andrographolide was generated and was converted to *.pdb file which now docks with the *.pdb file of Ebola Virus Protein. © 2009 Bagchi P, et al.