Zika Virus E-Protein In Silico Approach and Drug Repurposing

Authors

  • C. Sameer Bioinformatics and Cheminformatics Department, RASA Life Science Informatics, Pune, Maharashtra, India
  • A. P. Tanvee Bioinformatics and Cheminformatics Department, RASA Life Science Informatics, Pune, Maharashtra, India
  • A. Nivedha Bioinformatics and Cheminformatics Department, RASA Life Science Informatics, Pune, Maharashtra, India

Abstract

The mosquito borne, one of the flavivirus family, called Zika virus is a positive, single stranded RNA. ZIKV infected humans are affected by neurological disorders, birth defects and other small pain, rash etc. To relieve from these disease, the target protein of ZIKV disease is to be determined. Here, the envelope protein is taken as a target to prevent Zika virus entry in to the cells. 3D structure of ZIKV deposited in the PDB (5ire) is used as the receptor. The FASTA sequence of 5ire is retrieved and modelled to get a good quality structure. Drugs that have potential effect on the target protein are to be studied. In previous research, many drugs were developed for flavivirus disease and used as antivirals and inhibitors. These drugs that are capable of inhibiting the viral entry and the replication process are to be studied. Amodiaquine (AQ), Chloroquine (CQ), Umifenovir, Catenospermine (CAT) and Deoxydojrimycin (DNJ) are used as the drug targets for the envelope (E) protein of various viral diseases like, dengue fever, influenza, west nile virus, Japanese encephalitis virus etc. These drugs are repurposed to study the activity against the ZIKV envelope protein, in the current study. Structure based ligand docking is used to determine the binding site of the protein.

 Keywords: BLAST, Modeller 9.16, Procheck, Rampage, Ligplot, Zinc pharmer, Auto dock 4.0

Cite this Article

Sameer C, Tanvee AP, Nivedha A. Zika Virus E-Protein In Silico Approach and Drug Repurposing. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(2): 8-16p.

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Published

2018-01-18

Issue

Vol. 4 No. 2 (2017)

Section

Research Article

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