A Comparative Study of Approved Drugs for SARS-CoV-2 by Molecular Docking

SARS-CoV-2, a new type of Coronavirus, has affected more millions people worldwide. From the spread this infection, many studies related to virus and drug designing for treatment have been started. Most target SARS-CoV-2 main protease, spike protein SASR-CoV-2, some are targeting human furin protease. In current work, we chose clinically used molecules remdesivir, favipiravir, lopinavir, hydroxychloroquine, chloroquine onto Docking were performed using Arguslab, while Discovery Studio collected 2D 3D pose views with crystal structure COVID-19 protease in complex an inhibitor N3 PDB ID 6LU7. Computational reveal that all ligands provided good binding affinities towards protein. Among chosen drugs, lopinavir showed highest docking score -11.75 kcal/mol. The results from molecular study encourage use as first-line due its affinity.