Homology modeling and docking studies of VP24 protein of Ebola virus with an antiviral drug and its derivatives

Authors

  • Deepti Sharma Institute of Nuclear Medicine and Allied Sciences
  • Mallika Pathak University of Delhi
  • Riya Sharma Institute of Nuclear Medicine and Allied Sciences
  • Navneet Sharma Institute of Nuclear Medicine and Allied Sciences
  • Prateek Tyagi University of Delhi
  • Raman Chawla Institute of Nuclear Medicine and Allied Sciences
  • Mitra Basu Institute of Nuclear Medicine and Allied Sciences
  • Himanshu Ojha Institute of Nuclear Medicine and Allied Sciences

Abstract

An outburst of Ebola Hemorrhagic Fever (EHF) in recent years is a challenge towards health preparedness of India. Oseltamivir is the only frontline drug used in the treatment of Ebola hemorrhagic fever. In order to enhance preparedness again Ebola virus induced fever it is required to identify more derivatives with proper target identification. The viral protein 24 (VP24) helps in formation of nucleocapsids and plays an important role in virulence. Therefore, in this study, a model of VP24 protein of Ebola virus was generated by homology modeling using the amino acid sequence from NCBI (GenBank: ALG02124.1). The protein PDB validation was done by Ramachandran Plot. The validated PDB of the VP24 protein was used for docking with Oseltamivir related derivatives (zinc database). Twenty new inhibitors identified based on better docking score and proposed for further in vitro and in vivo studies. 

Author Biographies

Deepti Sharma, Institute of Nuclear Medicine and Allied Sciences

Division of CBRN Defence

Mallika Pathak, University of Delhi

Department of Chemistry
Miranda House

Prateek Tyagi, University of Delhi

Department of Chemistry, Zakir Husain Delhi College

Himanshu Ojha, Institute of Nuclear Medicine and Allied Sciences

CBRN Defence Division
Institute of Nuclear Medicine ans Allied Sciences
Timarpur Delhi, India 110054

Oseltamivir homology docking

Published

2017-01-26

How to Cite

Sharma, D., Pathak, M., Sharma, R., Sharma, N., Tyagi, P., Chawla, R., Basu, M., & Ojha, H. (2017). Homology modeling and docking studies of VP24 protein of Ebola virus with an antiviral drug and its derivatives. Chemical Biology Letters, 4(1), 27–32. Retrieved from http://thesciencein.org/journal/index.php/cbl/article/view

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Section

Articles