Lapatinib (Tyverb®) Against Zika Virus
Keywords:
Lapatinib, Zika virus (ZIKV), Autodock 4, Autodock VinaAbstract
After Docking analysis of over 300 drugs, processed with Pyrx, a small Virtual Screening software, into the active site of protein of RNA-directed RNA polymerase NS5, ( ID PDB 6LD3 chain A), could be an excellent candidate drug against Zika virus. Indeed, from the results of Autodock Vina has a good Binding affinity value, ca. -9.6 kcal mol -1, good estimation inhibitory constant (Ki) value ca. 91 nM and goof Ligand efficiency ca -0.24 kcal mol -1. These results are higher to the crystallized ligand G8O ( 2,4-dimethoxy-5-thiophen-2-yl- benzoic acid ) complexed in this studied protein.
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