ArticleThe Journal of biological chemistry2016
A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening.
Article in The Journal of biological chemistry, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 35 papers.
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Who cites it
35 citing papers in PubMed, 76 citations in OpenAlex.
- Computational discovery of DENV-3 RdRp allosteric inhibitors: biological evaluation and mechanistic studies.Molecular diversity · 2026Article
- Antiviral Strategies Against Dengue Virus: Recent Insights into Compounds Targeting Viral and Host Factors.Current topics in microbiology and immunology · 2026Review
- Identification of novel inhibitors of dengue viral NS5 RNA-dependent RNA polymerase through molecular docking, biological activity evaluation and molecular dynamics simulations.Journal of enzyme inhibition and medicinal chemistry · 2025Article
- Taxonomic expansion and reorganization of Flaviviridae.Nature microbiology · 2025Article
- Crystallographic Fragment Screening of the Dengue Virus Polymerase Reveals Multiple Binding Sites for the Development of Non-nucleoside Antiflavivirals.Journal of medicinal chemistry · 2025Article
- Integrated analysis of protein sequence and structure redefines viral diversity and the taxonomy of thebioRxiv : the preprint server for biology · 2025Article
- Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic study.Molecular diversity · 2024Article
- Non-Nucleoside Lycorine-Based Analogs as Potential DENV/ZIKV NS5 Dual Inhibitors: Structure-Based Virtual Screening and Chemoinformatic Analysis.Metabolites · 2024Article
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- Exploring the Targets of Dengue Virus and Designs of Potential Inhibitors.Combinatorial chemistry & high throughput screening · 2024Article
- The SARS-CoV-2 Hydra, a tiny monster from the 21st century: Thermodynamics of the BA.5.2 and BF.7 variants.Microbial risk analysis · 2023Article
- Flavivirus nonstructural proteins and replication complexes as antiviral drug targets.Current opinion in virology · 2023Review
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- Natural Compounds as Non-Nucleoside Inhibitors of Zika Virus Polymerase through Integration of In Silico and In Vitro Approaches.Pharmaceuticals (Basel, Switzerland) · 2022Article
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- Review
- Drugs to limit Zika virus infection and implication for maternal-fetal health.Frontiers in virology (Lausanne, Switzerland) · 2022Article
- Current Trends and Limitations in Dengue Antiviral Research.Tropical medicine and infectious disease · 2021Review
- Cordycepin Inhibits Virus Replication in Dengue Virus-Infected Vero Cells.Molecules (Basel, Switzerland) · 2021Article
- In Vitro Antiviral Activity of α-Mangostin against Dengue Virus Serotype-2 (DENV-2).Molecules (Basel, Switzerland) · 2021Article
Corrections and comments
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Authors and funding
10 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We performed a fragment screen on the dengue virus serotype 3 RNA-dependent RNA polymerase using x-ray crystallography. A screen of 1,400 fragments in pools of eight identified a single hit that bound in a novel pocket in the protein. This pocket is located in the polymerase palm subdomain and conserved across the four serotypes of dengue virus. The compound binds to the polymerase in solution as evidenced by surface plasmon resonance and isothermal titration calorimetry analyses. Related compounds where a phenyl is replaced by a thiophene show higher affinity binding, indicating the potential for rational design. Importantly, inhibition of enzyme activity correlated with the binding affinity, showing that the pocket is functionally important for polymerase activity. This fragment is an excellent starting point for optimization through rational structure-based design.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.