MOLECULAR DOCKING OF QUININE DERIVATIVE AS INHIBITOR IN SARS-COV-2

The discovery of various of new medicinal compounds from various research clarifies the important role of computational studies as the initial basis for finding sources of medicinal raw materials both from natural and synthetic. SARS-coronavirus 2 (SARS-CoV-2) or COVID-19 is the virus which is responsible for the outbreak that affects almost the entire world began in early 2020. This study aim is to determine the interaction between SARS-CoV-2 and quinine derivative compounds by utilizing and developing quinine plants as medicinal ingredients, especially Corona antivirus. The research was conducted in silico with the molecular docking method. The docking software used in this research is AutodockVina. The results showed that from the 10 tested compounds against SARS-CoV-2 virus cells, all of ithas the ability as an antivirus with the binding affinity of around -6 kcal / mol. The native ligands have the best binding affinity among the tested compounds which is around -7.9 kcal / mol. This is also supported by the number of hydrogen bondings and bond lengths as well.