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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/1314
Title: Evaluation of the antiviral potential of halogenated dihydrorugosaflavonoids and molecular modeling with nsp3 protein of chikungunya virus (chikv)
Authors: Puranik N.V.
Rani R.
Singh V.A.
Tomar, Shailly
Puntambekar H.M.
Srivastava P.
Published in: ACS Omega
Abstract: Antiviral therapy is crucial for the circumvention of viral epidemics. The unavailability of a specific antiviral drug against the chikungunya virus (CHIKV) disease has created an alarming situation to identify or develop potent chemical molecules for remedial management of CHIKV. In the present investigation, in silico studies of dihydrorugosaflavonoid derivatives (5a-f) with non-structural protein-3 (nsP3) were carried out. nsP3 replication protein has recently been considered as a possible antiviral target in which crucial inhibitors fit into the adenosine-binding pocket of the macrodomain. The 4?-halogenated dihydrorugosaflavonoids displayed intrinsic binding with the nsp3 macrodomain (PDB ID: 3GPO) of CHIKV. Compounds 5c and 5d showed docking scores of-7.54 and-6.86 kcal mol-1, respectively. Various in vitro assays were performed to confirm their (5a-f) antiviral potential against CHIKV. The non-cytotoxic dose was determined by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay and was found to be <100 ?M. The compounds 5c and 5d showed their inhibitory potential for CHIKV, which was determined through cytopathic effect assay and plaque reduction assay, which show inhibition up to 95 and 92% for 70 ?M concentration of the compounds, respectively. The quantitative real-Time polymerase chain reaction assay result confirmed the ability of 5c and 5d to reduce the viral RNA level at 70 ?M concentration of compounds to nearly 95 and 93% concentration, respectively, in cells with CHIKV infection. Further, the CHIKV-inhibitory capacity of these compounds was corroborated by execution of immunofluorescence assay. The executed work will be meaningful for the future research of studied dihydrorugosaflavonoids against prime antiviral entrants, leading to remedial management to preclude CHIKV infection. Copyright © 2019 American Chemical Society.
Citation: ACS Omega(2019), 4(23): 20335-20345
URI: https://doi.org/10.1021/acsomega.9b02900
http://repository.iitr.ac.in/handle/123456789/1314
Issue Date: 2019
Publisher: American Chemical Society
ISSN: 24701343
Author Scopus IDs: 56610305700
57211993361
57201632985
57203506001
8853609100
57197916733
Author Affiliations: Puranik, N.V., Bioprospecting Group, Agharkar Research Institute, G. G. Agarkar Road, Pune, Maharashtra, 411004, India, Savitribai Phule Pune University, Ganeshkhind, Pune, 411007, India
Rani, R., Department of Biotechnology, Indian Institute of Technol
Funding Details: N.V.P. is thankful to Agharkar Research Institute, Pune, for financial support. S.T. acknowledges the financial support from the Indian Council of Medical Research (ICMR: Ref no. BIC/12(26)/2013).
Corresponding Author: Tomar, S.; Department of Biotechnology, Indian Institute of Technology RoorkeeIndia; email: shailfbt@iitr.ac.in
Appears in Collections:Journal Publications [BT]

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