Design, synthesis and biological evaluation of substituted flavones and aurones as potential anti-influenza agents
| Autor: | Anand S. Chintakrindi, Devanshi J. Gohil, Abhay Chowdhary, Meena Kanyalkar |
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| Rok vydání: | 2019 |
| Předmět: |
viruses
Clinical Biochemistry Kinetics Pharmaceutical Science Microbial Sensitivity Tests 01 natural sciences Biochemistry Flavones Antiviral Agents Virus Structure-Activity Relationship Influenza A Virus H1N1 Subtype Drug Discovery Influenza Human Humans Cytotoxicity Molecular Biology IC50 EC50 Benzofurans chemistry.chemical_classification biology Dose-Response Relationship Drug Molecular Structure 010405 organic chemistry Chemistry Organic Chemistry virus diseases Combinatorial chemistry respiratory tract diseases 0104 chemical sciences Molecular Docking Simulation 010404 medicinal & biomolecular chemistry Yield (chemistry) Drug Design biology.protein Molecular Medicine Neuraminidase |
| Zdroj: | Bioorganicmedicinal chemistry. 28(1) |
| ISSN: | 1464-3391 |
| Popis: | We designed a series of substituted flavones and aurones as non-competitive H1N1 neuraminidase (NA) inhibitors and anti-influenza agents. The molecular docking studies showed that the designed flavones and aurones occupied 150-cavity and 430-cavity of H1N1-NA. We then synthesized these compounds and evaluated these for cytotoxicity, reduction in H1N1 virus yield, H1N1-NA inhibition and kinetics of inhibition. The virus yield reduction assay and H1N1-NA inhibition assay demonstrated that the compound 1f (4-methoxyflavone) had the lowest EC50 of 9.36 nM and IC50 of 8.74 μM respectively. Moreover, kinetic studies illustrated that compounds 1f and 2f had non-competitive inhibition mechanism. |
| Databáze: | OpenAIRE |
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