| dc.description.abstract | BACKGROUND: It is the SARS-CoV-2 virus, one of the most signifi cant diseases of today’s world. Due to the
high transmission of this disease, studies are ongoing to discover an inhibitor drug that can stop this disease.
In this study, inhibitory drugs used for many diseases were tried to stop the SARS-CoV-2 virus.
AIM: In the calculations made, inhibitor molecules for the SARS-CoV-2 virus were calculated by molecular
docking method.
RESULTS AND CONCLUSION: Inhibitory activities of SARS-CoV-2 virus against spike glycoprotein (PDB ID:
6M0J, 6LZG), main protease (PDB ID: 5RGG, 6WTT), and RNA dependent RNA polymerase (RdRp) (PDB
ID: 6YYT, 7BV2) proteins were compared. Then, docking calculations were supported by calculations by
MM-PSBA of the inhibitor with the highest activity. Afterwards, it was compared with FDA approved drugs for
the SARS-CoV-2 virus. It was found that the Carvedilol molecule was the best against RNA dependent RNA
polymerase (RdRp) protein of SARS-CoV-2 (Tab. 4, Fig. 9, Ref. 42). | tr |
