ArticleBMC structural biology2018
Structure activity relationship (SAR) and quantitative structure activity relationship (QSAR) studies showed plant flavonoids as potential inhibitors of dengue NS2B-NS3 protease.
Article in BMC structural biology, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed, 51 citations in OpenAlex.
- Agathisflavone as a novel natural inhibitor of ToLCNDV suppressor proteins: insights from computational analyses and in planta validation.Scientific reports · 2026Article
- Identification and Evaluation of Natural Compounds as Potential Inhibitors of NS2B-NS3 Zika Virus Protease: A Computational Approach.Molecular biotechnology · 2025Article
- Evaluation of methoxyflavones as dengue NS2B-NS3 protease inhibitors: an in silico and in vitro studies.Molecular diversity · 2025Article
- Phytomedical Properties ofViruses · 2025Review
- Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitors.Frontiers in molecular biosciences · 2023Article
- Assessing the potential of NS2B/NS3 protease inhibitors biomarker in curbing dengue virus infections:Frontiers in cellular and infection microbiology · 2023Review
- Inhibitory Potential of Chromene Derivatives on Structural and Non-Structural Proteins of Dengue Virus.Viruses · 2022Review
- Pharmacological Potential of Flavonoids against Neurotropic Viruses.Pharmaceuticals (Basel, Switzerland) · 2022Review
- Article
- Article
- Myricetin Allosterically Inhibits the Dengue NS2B-NS3 Protease by Disrupting the Active and Locking the Inactive Conformations.ACS omega · 2022Article
- CanMolecules (Basel, Switzerland) · 2022Article
- Antiviral Properties of Polyphenols from Plants.Foods (Basel, Switzerland) · 2021Review
- Facile Synthesis and In Vitro Activity ofPathogens (Basel, Switzerland) · 2021Article
- Evaluation of flavonoids as 2019-nCoV cell entry inhibitor through molecular docking and pharmacological analysis.Heliyon · 2021Article
- Review
- Isolation and Biological Properties of the Natural Flavonoids Pectolinarin and Pectolinarigenin-A Review.Antibiotics (Basel, Switzerland) · 2020Review
- Flavonoids as Antiviral Agents forViruses · 2020Review
- Finding small molecules with pan-serotype activity to target Dengue non-structural protein 1.Virusdisease · 2019Article
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Authors and funding
6 authors at 3 institutions in 2 countries.
Funding
Abstract
backgroundDue to dengue virus disease, half of the world population is at severe health risk. Viral encoded NS2B-NS3 protease complex causes cleavage in the nonstructural region of the viral polyprotein. The cleavage is essentially required for fully functional viral protein. It has already been reported that if function of NS2B-NS3 complex is disrupted, viral replication is inhibited. Therefore, the NS2B-NS3 is a well-characterized target for designing antiviral drug.
resultsIn this study docking analysis was performed with active site of dengue NS2B-NS3 protein with selected plant flavonoids. More than 100 flavonoids were used for docking analysis. On the basis of docking results 10 flavonoids might be considered as the best inhibitors of NS2B-NS3 protein. The interaction studies showed resilient interactions between ligand and receptor atoms. Furthermore, QSAR and SAR studies were conducted on the basis of NS2B-NS3 protease complex docking results. The value of correlation coefficient (r) 0.95 shows that there was a good correlation between flavonoid structures and selected properties.
conclusionWe hereby suggest that plant flavonoids could be used as potent inhibitors of dengue NS2B-NS3 protein and can be used as antiviral agents against dengue virus. Out of more than hundred plant flavonoids, ten flavonoid structures are presented in this study. On the basis of best docking results, QSAR and SAR studies were performed. These flavonoids can directly work as anti-dengue drug or with little modifications in their structures.
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