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| Format: | Artículo científico |
| Language: | en |
| Published: |
Sociedad Química de México
2024
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| Online Access: | https://www.redalyc.org/articulo.oa?id=47581848013 https://www.redalyc.org/journal/475/47581848013/ https://www.redalyc.org/journal/475/47581848013/html/ https://www.redalyc.org/journal/475/47581848013/47581848013.epub https://www.redalyc.org/journal/475/47581848013/movil |
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Table of Contents:
- In Vitro and In Silico Studies of Bis-furyl-pyrrolo3,4-bpyridin-5-ones on Dengue Virus Ivette Morales-Salazar Carlos E. Garduño-Albino Flora P. Montes-Enríquez Atilano Gutiérrez-Carrillo Yareli Rojas-Aguirre Nancy Viridiana Estrada-Toledo Jorge Sandoval-Basilio Sofía Lizeth Alcaraz-Estrada Erik Díaz-Cervantes Eduardo González-Zamora Alejandro Islas-Jácome Multidisciplinaria (Ciencias Naturales y Exactas) Ugi ones docking pyrrolo[3 b]pyridin A series of six bis-furyl-pyrrolo3,4-bpyridin-5-ones synthesized via an Ugi-Zhu reaction coupled to a cascade process aza Diels-Alder cycloaddition/N-acylation/aromatization were evaluated in vitro against Dengue virus serotype 4 infection, and the Dengue virus replicon system encoding a Renilla luciferase gen reporter. Also, in silico studies on the non-structural protein 3 (NS3), a flavivirus protease comprising an attractive target for development of therapeutic antivirals bound to non-structural protein 2B (NS3-NS2B) were performed. The in vitro results showed that compounds 1a and 1b reduced the expression of Renilla luciferase in 44.2 and 31.6%, respectively. Additionally, the same compounds decreased viral load, thus revealing their potential activity against Dengue virus serotype 4. From in silico simulations, it was developed a NS3-NS2B model, which was used as a target for the studied molecules. Computational results agree with experimental data, showing that 1a is the best ligand. Finally, a pharmacophoric model was computed for NS3-NS2B, which shows that the ligands need two hydrophobic and one hydrophilic fragment. Such results suggest that two out of the six synthesized bis-furyl-pyrrolo3,4-bpyridin-5-ones derivatives presents potential antiviral activity against Dengue virus in vitro. 2024 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47581848013 https://www.redalyc.org/journal/475/47581848013/ https://www.redalyc.org/journal/475/47581848013/html/ https://www.redalyc.org/journal/475/47581848013/47581848013.epub https://www.redalyc.org/journal/475/47581848013/movil 10.29356/jmcs.v68i1.2103 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.1 Vol.68