Molecular Docking Studies of Potential Multifloroside and Trimyristin as Inhibitor for Anti Malaria

Malau, Nya Daniaty (2021) Molecular Docking Studies of Potential Multifloroside and Trimyristin as Inhibitor for Anti Malaria. In: Advances in Social Science, Education and Humanities Research. Atlantis Press, pp. 313-318. ISBN 10.2991/assehr.k.210615.061

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Abstract

This study aims to analyze the potential of Multifloroside and Trimyristin as inhibitors of plasmepsin compounds as anti-malaria. The method used in analyzing the potential of Multifloroside and Trimyristin ligands as antimalarials is by insilico approach through tethering using Autodock Vina. Based on the free energy parameters of the Multifloroside molecular tethering, a value of -9.0 was obtained and for the Trimyristin molecule a value of -6.4 was obtained with 5 replications each. The free energy value of Multifloroside and Trimyristin ligands is negative, this means that Multifloroside and Trimyristin ligands are stable for use as Plasmepsin inhibitors. Because the lower the free energy of a molecule, the more stable the molecule is. But if you see the most potential between Multifloroside and Trimyristin, Multifloroside is better than Trimyristin ligands. Analysis based on hydrogen bonding parameters contained 1 hydrogen bond each showed that the stronger the Multifloroside and Trimyristin inhibitors bind to the receptors. For the Multifloroside ligand, the hydrogen bond formed is UNK-H ligand, whereas for Trimyristin ligand, the hydrogen bond formed is SER218-HN residue. The small number of hydrogen bonds does not affect the stability of the ligand and receptor bonds.

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