In Silico Identification and Analysis of Potentially Bioactive Antiviral Phytochemicals against SARS-CoV-2: A Molecular Docking and Dynamics Simulation Approach

Figure 4

Schematic illustration of 1R4L_CHEMBL4216332 (Grayanoside A), 1R4L_Molnupiravir, and 1R4L_Paxlovid complexes. (a, b) Share the pose and surface view of protein and ligand complex. Here, protein is in purple and cyan colors and ligand is in blue color. (c,, d) Share 3D and 2D interactions of protein and ligand complex. Magenta color represents proteins and yellow color presents ligands. (e, f) Share the pose and surface view of protein and ligand complex. Here, protein is in purple and cyan colors, and ligand is in blue color. (g, h) Share 3D and 2D interactions of protein and ligand complex. Here, protein in magenta color and ligand in yellow color. (i, j) Share the pose and surface view of protein and ligand complex. Here, protein is in purple and cyan colors and ligand is in blue color. (k, l) Share 3D and 2D interaction of protein and ligand complex. Here, protein in magenta color and ligand in yellow color.