ArticleScientific reports2020
An in silico approach to analyze HCV genotype-specific binding-site variation and its effect on drug-protein interaction.
Article in Scientific reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
3 citing papers in PubMed, 3 citations in OpenAlex.
- Evaluation of Risk Determinants and Molecular Characterisation for Non-Primate Hepacivirus Infection in Turkish Horses.Pathogens (Basel, Switzerland) · 2025Article
- Molecular docking analysis of fluoroquinolones and other natural and synthetic compounds with the HCV NS3 helicase.Bioinformation · 2022Article
- Repurposing potential of posaconazole and grazoprevir as inhibitors of SARS-CoV-2 helicase.Scientific reports · 2021Article
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Authors and funding
6 authors at 4 institutions in 3 countries.
Funding
Abstract
Genotype variation in viruses can affect the response of antiviral treatment. Several studies have established approaches to determine genotype-specific variations; however, analyses to determine the effect of these variations on drug-protein interactions remain unraveled. We present an in-silico approach to explore genotype-specific variations and their effect on drug-protein interaction. We have used HCV NS3 helicase and fluoroquinolones as a model for drug-protein interaction and have investigated the effect of amino acid variations in HCV NS3 of genotype 1a, 1b, 2b and 3a on NS3-fluoroquinolone interaction. We retrieved 687, 667, 101 and 248 nucleotide sequences of HCV NS3 genotypes 1a, 1b, 2b, and 3a, respectively, and translated these into amino acid sequences and used for genotype variation analysis, and also to construct 3D protein models for 2b and 3a genotypes. For 1a and 1b, crystal structures were used. Drug-protein interactions were determined using molecular docking analyses. Our results revealed that individual genotype-specific HCV NS3 showed substantial sequence heterogeneity that resulted in variations in docking interactions. We believe that our approach can be extrapolated to include other viruses to study the clinical significance of genotype-specific variations in drug-protein interactions.
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Registered trials
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