Analisis Senyawa Kurkumin Dan Turunannya Sebagai Anti Covid-19 Degan Metode Hartree Fock Dan Molecular Docking

Abstract

At the end of 2019, in December, the world was shocked by the news of the emergence of a pneumonia outbreak caused by the novel coronavirus. As of now, there is no specific drug available to treat this disease. Traditional medicine has played a positive role in the fight against Covid-19. Several active compounds have begun research to counteract the Covid-19 virus, one of which is the curcumin compound. Curcumin has the potential to be used as COVID-19 therapy because it has antiviral and anti-inflammatory effects. One of them curcumin can prevent the replication of SARS-CoV. In addition, curcumin can also reduce the circulation of IL-6 and TNF-a which are key inflammatory mediators. The purpose of this study is to determine the effectiveness of curcumin and its derivatives as an anti COVID- 19 compound and to find out how a compound can be docked according to Lipinski's rules. This research is a type of in silico experimental research using molecular docking. The results obtained are curcumin, demethoxycurcumin, bisdemethoxycurcumin, pentagamavunon and tetrahydrocurcumin compounds that fulfill Lipinski's rules so that the docking process can be carried out. Demetoxycurcumin has the best ability as an anti-coronavirus among other compounds because of the most negative binding affinity, which is -8.15 kcal/mol.