Asborg A Bjertnaes, Jacob H Grundt, Hilde M Donkor, Petur B Juliusson, Tore Wentzel-Larsen, Arild Vaktskjold, Trond Markestad, Mads N Holten-Andersen
No significant associations between breastfeeding practices and overweight in 8-year-old children
Acta paediatrica (Oslo, Norway : 1992)
rna viruses complex pathogens terms genetic makeup mutation frequency transmission modes contain rna helicase enzyme plays crucial role viral genome replication process work aims develop screen potential molecule could function dengue virus denv rna helicase inhibitor present study performed taking 26 potential derivatives gedunin phytochemicals pubchem database ligands binding study compounds analyzed silico docking method considering denv rna helicase enzyme receptor thorough analysis docking scores toxicity physicochemical properties compound tetrahydrogedunin obtained best based tetrahydrogedunin molecular structure 100 druglike molecules designed using data warrior tool screening process druglikeness admet properties derivative number 42 considered promising comparative docking derivative 42 standard inhibitor molecule st610 denv rna helicase enzyme showed binding affinity 100 kcalmol 96 kcalmol respectively favorable interaction denv rna helicase derivative 42 validated 50 nanoseconds molecular dynamics simulation mmgbsa analysis since antiviral activity derivative 42 reported till date compound predicted novel therapeutic molecule act dengue virus denv rna helicase enzyme