Nature and potential binding site prediction of covid-19 with Protease inhibitors using Pymol

Guillain Two recently reported crystal structures (PDB entries 6Y2E and 6LU7) of a protease from the SARS-CoV-2 virus, the infectious agent of the COVID-19 respiratory disease, has been investigated using pymol. Through this computational investigation the protease is predicted to display flexible motions in vivo which affect the geometry of a known inhibitor binding site. This opens new potential binding sites elsewhere in the structure. A database of the generated PDB files represents natural flexible variations on the crystal structures produced. This research article involves Docking and molecular interaction studies of COVID-19 with protease inhibitors using Pymol is aimed at identifying specific antiviral therapies for the treatment of COVID-19.

Author(s): Shalini K. Sawhney* , Monika Singh

Abstract | Full-Text | PDF

Share This Article