Fig. 3
From: High-throughput in vitro screening and in silico analysis for Zika virus inhibitor identification
Receptor-ligand preparation, active site prediction, and docking grid definition for ZIKV NS5 and NS2B-NS3 proteins. (a) Prepared receptor protein structures (ZIKV NS5 and NS2B-NS3) and ligand structures used for molecular docking studies. (b) Active site prediction of ZIKV NS5 protein using SCFBio, highlighting key binding pockets and docking grid placement. The docking grid was centered at XYZ coordinates (42.652, 10.301, 73.434 Å). (c) Active site prediction for the ZIKV NS2B-NS3 complex. The docking grid for NS2B-NS3 was defined at XYZ coordinates (-10.382, 33.219, -40.330 Å). Both docking grids had dimensions of 30 ų.
