Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.

The nonstructural protein 3 (NS3) of hepatitis C virus (HCV) helicase is believed to be essential for viral replication and has become an attractive target for the development of antiviral drugs. The study of helicase is useful for elucidating its involvement in positive sense single-stranded RNA vi...

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Main Authors: Kaneez Fatima, Shilu Mathew, Mohd Suhail, Ashraf Ali, Ghazi Damanhouri, Esam Azhar, Ishtiaq Qadri
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2014-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC4154687?pdf=render
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author Kaneez Fatima
Shilu Mathew
Mohd Suhail
Ashraf Ali
Ghazi Damanhouri
Esam Azhar
Ishtiaq Qadri
author_facet Kaneez Fatima
Shilu Mathew
Mohd Suhail
Ashraf Ali
Ghazi Damanhouri
Esam Azhar
Ishtiaq Qadri
author_sort Kaneez Fatima
collection DOAJ
description The nonstructural protein 3 (NS3) of hepatitis C virus (HCV) helicase is believed to be essential for viral replication and has become an attractive target for the development of antiviral drugs. The study of helicase is useful for elucidating its involvement in positive sense single-stranded RNA virus replication and to serve as templates for the design of novel antiviral drugs. In recent years, several models have been proposed on the conformational change leading to protein movement and RNA unwinding. Some compounds have been recently reported to inhibit the helicase and these include small molecules, RNA aptamers and antibodies. The current study is designed to help gain insights for the consideration of potential inhibitors for Pakistani HCV NS3 helicase protein. We have cloned, expressed and purified HCV NS3 helicase from Pakistani HCV serum samples and determined its 3D structure and employed it further in computational docking analysis to identify inhibitors against HCV genotype 3a (GT3a),including six antiviral key molecules such as quercetin, beta-carotene, resveratrol, catechins, lycopene and lutein. The conformation obtained after docking showed good hydrogen bond (HBond) interactions with best docking energy for quercetin and catechins followed by resveratrol and lutein. These anti-helicase key molecules will offer an alternative attraction to target the viral helicase, due to the current limitation with the interferon resistance treatment and presences of high rate of resistance in anti-protease inhibitor classes.
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spelling doaj.art-dd157411c1ec41e180f302ecac6622db2022-12-21T18:23:35ZengPublic Library of Science (PLoS)PLoS ONE1932-62032014-01-0199e10633910.1371/journal.pone.0106339Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.Kaneez FatimaShilu MathewMohd SuhailAshraf AliGhazi DamanhouriEsam AzharIshtiaq QadriThe nonstructural protein 3 (NS3) of hepatitis C virus (HCV) helicase is believed to be essential for viral replication and has become an attractive target for the development of antiviral drugs. The study of helicase is useful for elucidating its involvement in positive sense single-stranded RNA virus replication and to serve as templates for the design of novel antiviral drugs. In recent years, several models have been proposed on the conformational change leading to protein movement and RNA unwinding. Some compounds have been recently reported to inhibit the helicase and these include small molecules, RNA aptamers and antibodies. The current study is designed to help gain insights for the consideration of potential inhibitors for Pakistani HCV NS3 helicase protein. We have cloned, expressed and purified HCV NS3 helicase from Pakistani HCV serum samples and determined its 3D structure and employed it further in computational docking analysis to identify inhibitors against HCV genotype 3a (GT3a),including six antiviral key molecules such as quercetin, beta-carotene, resveratrol, catechins, lycopene and lutein. The conformation obtained after docking showed good hydrogen bond (HBond) interactions with best docking energy for quercetin and catechins followed by resveratrol and lutein. These anti-helicase key molecules will offer an alternative attraction to target the viral helicase, due to the current limitation with the interferon resistance treatment and presences of high rate of resistance in anti-protease inhibitor classes.http://europepmc.org/articles/PMC4154687?pdf=render
spellingShingle Kaneez Fatima
Shilu Mathew
Mohd Suhail
Ashraf Ali
Ghazi Damanhouri
Esam Azhar
Ishtiaq Qadri
Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.
PLoS ONE
title Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.
title_full Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.
title_fullStr Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.
title_full_unstemmed Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.
title_short Docking studies of Pakistani HCV NS3 helicase: a possible antiviral drug target.
title_sort docking studies of pakistani hcv ns3 helicase a possible antiviral drug target
url http://europepmc.org/articles/PMC4154687?pdf=render
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