Fig. 3.

Intermolecular interactions between docked FDA approved drugs candidates vs SARS-CoV-2 spike RBD region: (a) Binding mode of Silmitasertib with stable SARS-CoV-2 spike RBD, (b) Binding mode of AC55541 with stable SARS-CoV-2 spike RBD (c) The binding mode of Merimepodib within the binding site SARS-CoV-2 spike RBD, (d) Binding mode of XL-413 with SARS-CoV-2 spike RBD protein. (e) Binding mode of AZ3451 within the SARS-CoV-2 spike RBD binding cavity. The hydrogen bonds are shown in dashed Black lines whereas, Pi–Pi stacking, Pi-cation interactions, and aromatic hydrogen bonds were represented in Cyan, Green and Teal color, respectively. The SARS-CoV-2 spike RBD protein is shown in the ribbon form, and the interacting amino acids and the drug candidates are represented in line and ball and stick model (Color figure online)