Potensi Senyawa Turunan Xanton dari Kulit Buah Manggis (Garcinia mangostana L.) Sebagai Inhibitor Protein Mycobacterium tuberculosis: Studi In Silico
DOI:
https://doi.org/10.21776/ub.pji.2022.007.02.7Keywords:
Tuberculosis, Buah Manggis, Molecular DockingAbstract
Tuberculosis is an infectious disease caused by Mycobacterium tuberculosis infection that
attacks the lungs. Tuberculosis is a dangerous disease that can cause death. In overcoming it, a safe
and effective treatment is needed so that this disease can be cured. The purpose of this study was to
determine the potential activity of the active compounds derived from xanthones contained in the
mangosteen rind as an inhibitor of Mycobacterium tuberculosis protein with the comparison compound
Isoniazid. The active compounds used in this study were α-mangostin, β-mangostin, γ-mangostin,
garsinon, gartanin, and 8-deoxygartanin. This research uses the molecular docking method with
Yasara, MarvinSketch, PubChem, PDB, and Plants 1.1 software. The results showed that the Gibss
energy produced by each test ligand had a difference value, either lower or higher than the native ligand
protein of Mycobacterium tuberculosis. Lipinski screening was done to make it easier to determine a
molecule or compound based on its permeability and absorption properties. The results showed that
gartanin and 8-deoxygartanin complied with Lipinski's rules. Prediction of pharmacokinetic properties
and toxicity was carried out using the pkCSM website and can be concluded that gartanin and 8-
deoxygartanin compounds have good pharmacokinetic properties and low toxicity.
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