Literature DB >> 29652194

Molecular docking revealed the binding of nucleotide/side inhibitors to Zika viral polymerase solved structures.

A A Elfiky1,2,3, A M Ismail1,4.   

Abstract

A new Zika virus (ZIKV) outbreak started in 2015. According to the World Health Organization, 84 countries confirmed ZIKV infection. RNA-dependent RNA polymerase (RdRp) was an appealing target for drug designers during the last two decades. Through molecular docking, we screened 16 nucleotide/side inhibitors against ZIKV RdRp. While the mode of interaction with ZIKV is different from that in the hepatitis C virus (HCV), nucleotide/side inhibitors in this study (mostly anti-HCV) showed promising binding affinities (-6.2 to -9.7 kcal/mol calculated by AutoDock Vina) to ZIKV RdRp. Setrobuvir, YAK and, to a lesser extent, IDX-184 reveal promising results compared to other inhibitors in terms of binding ZIKV RdRp. These candidates would be powerful anti-ZIKV drugs.

Entities:  

Keywords:  NS5 solved structure; RNA-dependent RNA polymerase; Zika virus; drug protein interaction; molecular docking

Mesh:

Substances:

Year:  2018        PMID: 29652194     DOI: 10.1080/1062936X.2018.1454981

Source DB:  PubMed          Journal:  SAR QSAR Environ Res        ISSN: 1026-776X            Impact factor:   3.000


  9 in total

1.  Identification of a Small Interface between the Methyltransferase and RNA Polymerase of NS5 that is Essential for Zika Virus Replication.

Authors:  Timur Rusanov; Tatiana Kent; Mohsan Saeed; Trung M Hoang; Crystal Thomas; Charles M Rice; Richard T Pomerantz
Journal:  Sci Rep       Date:  2018-11-26       Impact factor: 4.379

2.  Discovering Potential RNA Dependent RNA Polymerase Inhibitors as Prospective Drugs Against COVID-19: An in silico Approach.

Authors:  Satabdi Saha; Rajat Nandi; Poonam Vishwakarma; Amresh Prakash; Diwakar Kumar
Journal:  Front Pharmacol       Date:  2021-02-26       Impact factor: 5.810

3.  Ribosomal proteins as a possible tool for blocking SARS-COV 2 virus replication for a potential prospective treatment.

Authors:  Marian Rofeal; Fady Abd El-Malek
Journal:  Med Hypotheses       Date:  2020-05-30       Impact factor: 1.538

4.  Identification of SARS-CoV-2 RNA-dependent RNA polymerase inhibitors from the major phytochemicals of Nigella sativa: An in silico approach.

Authors:  Shabir Ahmad Mir; Ahmad Firoz; Mohammed Alaidarous; Bader Alshehri; Abdul Aziz Bin Dukhyil; Saeed Banawas; Suliman A Alsagaby; Wael Alturaiki; Gulzar Ahmad Bhat; Faizan Kashoo; Ahmad M Abdel-Hadi
Journal:  Saudi J Biol Sci       Date:  2021-09-08       Impact factor: 4.219

5.  Molecular dynamics simulations and MM-GBSA reveal novel guanosine derivatives against SARS-CoV-2 RNA dependent RNA polymerase.

Authors:  Abdo A Elfiky; Hanan A Mahran; Ibrahim M Ibrahim; Mohamed N Ibrahim; Wael M Elshemey
Journal:  RSC Adv       Date:  2022-01-20       Impact factor: 3.361

6.  Novel adenosine derivatives against SARS-CoV-2 RNA-dependent RNA polymerase: an in silico perspective.

Authors:  Amr Sonousi; Hanan A Mahran; Ibrahim M Ibrahim; Mohamed N Ibrahim; Abdo A Elfiky; Wael M Elshemey
Journal:  Pharmacol Rep       Date:  2021-06-24       Impact factor: 3.919

7.  Visualization of protein sequence space with force-directed graphs, and their application to the choice of target-template pairs for homology modelling.

Authors:  Dylan J T Mead; Simón Lunagomez; Derek Gatherer
Journal:  J Mol Graph Model       Date:  2019-07-26       Impact factor: 2.518

8.  Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study.

Authors:  Abdo A Elfiky
Journal:  Life Sci       Date:  2020-03-25       Impact factor: 5.037

9.  Anti-HCV, nucleotide inhibitors, repurposing against COVID-19.

Authors:  Abdo A Elfiky
Journal:  Life Sci       Date:  2020-02-28       Impact factor: 5.037

  9 in total

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