alexa Virtual Screening for Identification of Small Lead Compound Inhibitors of Nipah Virus Attachment Glycoprotein | OMICS International| Abstract

ISSN: 2153-0645

Journal of Pharmacogenomics & Pharmacoproteomics

  • Research Article   
  • J Pharmacogenomics Pharmacoproteom 2018, Vol 9(2): 180
  • DOI: 10.4172/2153-0645.1000180

Virtual Screening for Identification of Small Lead Compound Inhibitors of Nipah Virus Attachment Glycoprotein

Md Hazrat Ali1*, Saeed Anwar1, Pradip Kumar Roy1 and Md Ashrafuzzaman1,2
1Department of Genetic Engineering and Biotechnology, School of Life Science, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh
2Resource Conservation (INRES), University of Bonn, Karlobert-Kreiten-Str. 13, D-53115 Bonn, Germany
*Corresponding Author : Md Hazrat Ali, Assistant Professor, Department of Genetic Engineering and Biotechnology, School of Life Science, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh, Tel: +880 17176 299 245, Email: [email protected]

Received Date: Apr 25, 2018 / Accepted Date: May 15, 2018 / Published Date: May 25, 2018

Abstract

Nipah virus (NiV), a newly emergent zoonotic paramyxovirus, has caused several outbreaks in humans and associated with severe encephalitic diseases. Till these days, neither vaccines nor drugs with optimal appeasement against the virus are available. The attachment glycoprotein (NiV-G) on the surface of the virus is an important virulent factor and a promising antiviral target. To identify novel inhibitors of NiV-G using computer aided virtual screening of NCI diversity set 2 and 20,000 commercially available drug-like compounds in the ZINC database. Structure based molecular docking studies using the crystal structure of the NiV-G were performed to virtually screen for novel inhibitors of NiV-G and 4 potential compounds with potential ability to inhibit the NiV-G by competing with Ephrin binding site and prevent NiV encephalitis by blocking the Ephrin recognition zone at the peripheral site were found.

Keywords: Virtual screening; Nipah virus; Attachment glycoprotein; Encephalitis; Computer-aided drug design (CADD)

Citation: Ali MH, Anwar S, Roy PK, Ashrafuzzaman MD (2018) Virtual Screening for Identification of Small Lead Compound Inhibitors of Nipah Virus Attachment Glycoprotein. J Pharmacogenomics Pharmacoproteomics 9:180. Doi: 10.4172/2153-0645.1000180

Copyright: © 2018 Ali MH, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

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