(S)-N-(۴-Carbamoylphenyl)-۸-Cyclopropyl-۷-(Naphthalen-۱-ylmethyl)-۵-Oxo-۲,۳-Dihydro-۵H-Thiazolo[۳,۲-a]Pyridine-۳-Carboxamide, A Better Inhibitor of SARS-Cov-۲ Spike Glycoprotein Than Some Standard Drugs: A Computational Prediction

The appearance of severe acute respiratory syndrome coronavirus ۲ (COVID-۱۹) is at its peak; with the growing number of people infected with COVID-۱۹, there is an urgent need to find effective treatments for this outbreak. The current situation appears to call for drug repurposing. In our hunt for a viable medication against this virus, we used an in-silico strategy to test four conventional medicines, including Ritonavir and Hydroxychloroquine, against the spike glycoprotein of COVID-۱۹. A docking simulation was performed to assess the drug's binding affinity. We discovered a single medication compound ۳۶ against SARS-coronavirus spike glycoprotein. The compound was found to have a strong binding affinity against the target protein. The chemical was discovered to have a high affinity for the target protein. Furthermore, no conventional medicines efficiently bonded to the SARS-coronavirus spike glycoprotein. The current investigation concluded that the compound ۳۶ is a highly stable anti-SARS-coronavirus spike glycoprotein medication. Furthermore, none of the standard drugs had a high affinity for the SARS-coronavirus spike glycoprotein binding site. 

Keywords:

SARS-CoV-۲ , phylogenetic analysis , Molecular docking , ADMET