Molecular Dynamics Simulation of Bioactive Compounds Against Six Protein Target of Sars-Cov-2 As Covid-19 Antivirus Candidates

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is the virus that causes 2019 (COVID-19). To date, there has been no proven effective drug for treatment or prevention of COVID-19. A study on developing inhibitors this was performed using molecular dynamics simulation. 3CL-Pro, PL-Pro, Helicase, N, E, and M protein were used as targets. This aimed to determine stability selected protein-ligand complex through simulation by Amber20 propose bioactive compounds from natural products have potential a Based our previous study, best value free binding energy interactions candidate are obtained each target docking. Corilagin (-14.42 kcal/mol), Scutellarein 7-rutinoside (-13.2 Genistein 7-O-glucuronide (-10.52 Biflavonoid-flavone base + 3O (-11.88 -9.61 Enoxolone (-6.96 kcal/mol) at target. In simulation, 3CL-Pro-Corilagin most stable compared other complexes, so it recommended compound. Further research needed test ligand activity, which lowest six proteins.