Studi In Silico Senyawa Fitokimia Tumbuhan Pasak Bumi (Eurycoma longifolia) sebagai Anti Malaria Plasmodium falciparum 

Abstract

This study aimed to analyze the potential of pasak bumi (Eurycoma longifolia) phytochemical compounds as antimalarial candidates through an in silico approach targeting Plasmodium falciparum Plasmepsin X. The research methods included ligand and receptor preparation, receptor validation using Root Mean Square Deviation (RMSD), molecular docking, ligand-protein interaction analysis, drug-likeness evaluation, and toxicity prediction. The receptor validation produced an RMSD value of 0.371 Å, indicating that the docking protocol was valid. All tested compounds bound to the binding pocket of the target protein with varying binding affinity values. Niloticin showed the most negative binding affinity among the tested compounds at −11.404 kcal/mol. Eurycomalactone was not predicted to be hepatotoxic or carcinogenic. This study concludes that Niloticin has potential based on its binding affinity, while Eurycomalactone shows a better balance of binding affinity, drug-likeness characteristics, and predicted safety. However, the biological activity and safety of both compounds require confirmation through molecular dynamics simulations and in vitro and in vivo studies. Keywords: Antimalarial, Eurycoma longifolia, In Silico, Molecular Docking, Phytochemicals, Plasmodium falciparum