RESUMEN
BACKGROUND: Due 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. RESULTS: In 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. CONCLUSION: We 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.
Asunto(s)
Virus del Dengue/enzimología , Flavonoides/farmacología , Péptido Hidrolasas/química , Plantas/química , Inhibidores de Proteasas/farmacología , Antivirales/química , Antivirales/farmacología , Dominio Catalítico/efectos de los fármacos , Virus del Dengue/efectos de los fármacos , Flavonoides/química , Modelos Moleculares , Simulación del Acoplamiento Molecular , Complejos Multienzimáticos/antagonistas & inhibidores , Péptido Hidrolasas/metabolismo , Extractos Vegetales/química , Extractos Vegetales/farmacología , Inhibidores de Proteasas/química , Serina Endopeptidasas/química , Relación Estructura-Actividad , Proteínas Virales/química , Proteínas Virales/metabolismoRESUMEN
ß-Glucan is a valuable functional ingredient and various extraction techniques are available for its extraction. Choice of an appropriate extraction technique is important as it may affect the quality, structure, rheological properties, molecular weight, and other functional properties of the extracted ß-glucan. These properties lead to the use of ß-glucan into various food systems and have important implications in human health. This review focuses on the extraction, synthesis, structure, molecular weight, and rheology of ß-glucan. Furthermore, health implications and utilization of ß-glucan in food products is also discussed.