ArticleMedicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents2016
IDX-184 is a superior HCV direct-acting antiviral drug: a QSAR study.
Article in Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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17 citing papers in PubMed.
- Review
- Structure-Based Drug Design of RdRp Inhibitors against SARS-CoV-2.Topics in current chemistry (Cham) · 2023Review
- Molecular dynamics simulations and MM-GBSA reveal novel guanosine derivatives against SARS-CoV-2 RNA dependent RNA polymerase.RSC advances · 2022Article
- Identification of SARS-CoV-2 RNA-dependent RNA polymerase inhibitors from the major phytochemicals ofSaudi journal of biological sciences · 2022Article
- Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods.Biophysical chemistry · 2021Article
- Recent advances in the discovery of potent RNA-dependent RNA-polymerase (RdRp) inhibitors targeting viruses.RSC medicinal chemistry · 2021Review
- Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study.Saudi journal of biological sciences · 2021Article
- Article
- Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method.Supercomputing frontiers and innovations · 2020Article
- Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study.Life sciences · 2020Article
- Anti-HCV, nucleotide inhibitors, repurposing against COVID-19.Life sciences · 2020Article
- Novel guanosine derivatives against Zika virus polymerase in silico.Journal of medical virology · 2020Article
- Perspectives towards antiviral drug discovery against Ebola virus.Journal of medical virology · 2019Review
- Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study.Virusdisease · 2019Article
- Design of novel amyloid β aggregation inhibitors using QSAR, pharmacophore modeling, molecular docking and ADME prediction.In silico pharmacology · 2018Article
- Molecular dynamics simulation revealed binding of nucleotide inhibitors to ZIKV polymerase over 444 nanoseconds.Journal of medical virology · 2018Article
- Quantitative structure-activity relationship and molecular docking revealed a potency of anti-hepatitis C virus drugs against human corona viruses.Journal of medical virology · 2017Article
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2 authors.
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Abstract
abstractQuantitative structure-activity relationship (QSAR) parameters are good indicators for the reactivity of direct-acting antiviral drugs. Since molecular structure is related to molecular function, careful selection of molecular substitutions will result in more drugs that are potent. In this work, QSAR parameters are selected in order to compare the four drugs used as nucleotide inhibitors (NIs) for non-structural 5B (NS5B) RNA-dependent RNA polymerase (RdRp) of hepatitis C virus (HCV). These drugs are: ribavirin (widely used over the last 20 years), sofosbuvir (approved on December 2013 by FDA), and finally IDX-184 and R7128 (phase IIb of clinical trial drugs). The nucleotide analogues uracil (U), guanine (G), and cytosine (C) from which these drugs are fabricated are also compared to that group of drugs. QSAR parameters suggested that the drug IDX-184 is the best among all of the studied NIs. It also shows that NIs are always more reactive than their parent nucleotide. GRAPHICAL ABSTRACT: The active site environment of 12 amino acids coordinated with IDX-184 through two Mg
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