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All | Since 2019 | |
Citation | 5450 | 3969 |
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NATURE AND POTENTIAL BINDING SITE PREDICTION OF COVID-19 WITH PROTEASE INHIBITORS USING PYMOL
Shalini K. Sawhney* and Monika Singh
ABSTRACT 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. Keywords: SARS-CoV-2, COVID-19, Docking, protease inhibitors. [Download Article] [Download Certifiate] |