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International Journal of Current Microbiology and Applied Sciences (IJCMAS)
IJCMAS is now DOI (CrossRef) registered Research Journal. The DOIs are assigned to all published IJCMAS Articles.
Index Copernicus ICI Journals Master List 2018 - IJCMAS--ICV 2018: 95.39 For more details click here
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National Academy of Agricultural Sciences (NAAS)
NAAS Score: *5.38 (2020)
[Effective from January 1, 2020]
For more details click here

ICV 2018: 95.39
Index Copernicus ICI Journals Master List 2018 - IJCMAS--ICV 2018: 95.39
For more details click here

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Original Research Articles

PRINT ISSN : 2319-7692
Online ISSN : 2319-7706
Issues : 12 per year
Publisher : Excellent Publishers
Email : editorijcmas@gmail.com / submit@ijcmas.com
Editor-in-chief: Dr.M.Prakash
Index Copernicus ICV 2018: 95.39
NAAS RATING 2020: 5.38

Int.J.Curr.Microbiol.App.Sci.2020.9(9): 3377-3390
DOI: https://doi.org/10.20546/ijcmas.2020.909.420


Identification of Potential Novel Inhibitors for Nipah Virus – An in silico Approach
Raja1, P. Ravikumar1, M. R. Srinivasan2, K. Vijayarani1* and K. Kumanan1
1Bioinformatics Centre and ARIS Cell, 2Department of Veterinary Pharmacology and Toxicology, Madras Veterinary College, Tamil Nadu Veterinary and Animal Sciences University, Chennai – 600 007, Tamil Nadu, India
*Corresponding author
Abstract:

NipahVirus (NiV) is a zoonotic Virus which infects several animals and humans worldwide. Currently, there is no specific drug or vaccine to treat or control NiV infections. The present study is aimed to identify novel inhibitors of NiV from Indian medicinal plants. Glycoprotein was taken as target protein. Around 600 phytocompounds were taken from 10 Indian medicinal plants and subjected to Virtual Screening by using Libdock module from Discovery Studio 4.0. From these, the best 20 compounds were screened and evaluated for their Pharmacokinetic properties by using ADMETSAR and pKCSM tools. Toxicity studies were also performed using TOPKAT- Discovery Studio 4.0. Evaluated compounds were taken for individual docking. Molecular Dynamics (MD) simulation study was done by using GROMACS 5.1.2 to find the stability of the best interacted protein and ligand complex. From the results of this study, Neoandrographolide (Libdock score: 146.79), Hexahydrocurcumin (Libdock score: 146.501) and Nirphyllin (Libdock score: 141.896) showed better interaction with target protein. Hence, the present study concludes that the Neoandrographolide from Andrographis paniculata, Hexahydrocurcumin from Zingiber officinale and Nirphyllin from Phyllanthus amarus are having the potential ability to act as the best inhibitor for the target protein of NiV.


Keywords: Nipah Virus, ADMET prediction, Toxicity studies, Docking, Simulation study
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How to cite this article:

Raja, T., P. Ravikumar, M. R. Srinivasan, K. Vijayarani and Kumanan, K. 2020. Identification of Potential Novel Inhibitors for Nipah Virus – An in silico ApproachInt.J.Curr.Microbiol.App.Sci. 9(9): 3377-3390. doi: https://doi.org/10.20546/ijcmas.2020.909.420