Zika Virus NS5 Protein novel Inhibitors from Limonium sinense phytochemicals using Glide: In silico Approach
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Abstract
Zika virus infection causes significant congenital disabilities, in addition to microcephaly while an excited mother is infected during pregnancy. Mosquito vectors are the main spreaders of the zika virus which includes Aedes albopictus and Aedes aegypti. presently clear-cut and definite treatment for the zika virus is not yet available. engrossing in silico approach present study determines the active fighter constituents from aboriginal antiviral herbs to regulate the zika virus. The Lipinski rule filter was used for the Phytoconstituents to determine their molecular interactions and pharmacokinetic studies. NS5 polymerase protein (PDB ID; 5U04) and ligand interactions were determined using Schrodinger Maestro software version 12.7. The outcome displayed that Quercetin, Moupinamide, Epigallocatechin gallate, and Myricetin have sharpened synergism with the asparte active site of NS5 RdRps with docking score (-6.087, -5.838, -5.812, -5.418 Kcal/mol). Analysing the pharmacokinetic study hydrogen bonds with 2.5 Å for target Aspartate amino acid have prime activity. the present study propounds that Quercetin can be used as an inhibitor of the Zika virus.
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