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

DOI

10.2991/assehr.k.210615.061How to use a DOI?

Keywords

docking, inhibitor, cyanidin, antimalaria

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.

Copyright

© 2021, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Nya Daniaty Malau
AU  - St Fatimah Azzahra
PY  - 2021
DA  - 2021/06/17
TI  - Molecular Docking Studies of Potential Multifloroside and Trimyristin as Inhibitor for Anti Malaria
BT  - Proceedings of the 2nd Annual Conference on blended learning, educational technology and Innovation (ACBLETI 2020)
PB  - Atlantis Press
SP  - 313
EP  - 318
SN  - 2352-5398
UR  - https://doi.org/10.2991/assehr.k.210615.061
DO  - 10.2991/assehr.k.210615.061
ID  - Malau2021
ER  -