In Silico Molecular Docking of the Antimalarial Flavonoid Compound Macaranga (Macaranga tanarius) Against the PfDHFR Enzyme

Malaria is an acute febrile disease caused by the parasite Plasmodium spp. It is a global health problem, especially in Indonesia. Drug resistance to antimalarial drugs is one of the health challenges faced. The discovery and development of new antimalarial drugs to overcome the current antimalarial drug resistance are highly needed in the future. Natural substances, especially from plants, are widely used in antimalarial treatment. One of them is the Macaranga plant (Macaranga tanarius), which is used as an antimalarial remedy in Kalimantan. The aim of this research was to conduct in-silico molecular docking of potential antimalarial chemical compounds found in the Macaranga plant. The analysis method used in this study was in-silico molecular docking using AutoDock v.4.2.6 software, and the data was visually analyzed in two dimensions using LigPlus v 1.4.5. The research results showed that the compound Tanariflavanone D had a lower binding free energy (ΔG) of -9.44 kcal/mol compared to the native compound WRA609 (ΔG = -8.44 kcal/mol) and the positive control compound Pyrimethamine (ΔG = -7.06 kcal/mol). Tanariflavanone D is suspected to have activity in inhibiting the PfDHFR enzyme, thus potentially serving as an antimalarial drug.