COMPARATIVE DOCKING STUDY OF ‘DUKUNG ANAK’ PHYTONUTRIENT COMPOUNDS WITH ANTI-CHOLESTEROL PROPERTIES
DOI:
https://doi.org/10.11113/jt.v77.6900Keywords:
Geraniin, Phyllanthus sp., Docking, 3-hydroxy-3-methyl-glutaryl-CoA reductase, Cardiovascular diseaseAbstract
Inhibition of 3-hydroxy-3-methyl-glutaryl-CoA reductase (HMGR) has been a useful strategy in the treatment of cardiovascular disease. Molecular docking study was carried out to study the effects of geraniin and its metabolites on 3-hydroxy-3-methyl-glutaryl-CoA reductase. 3-hydroxy-3-methyl-glutaryl-CoA reductase acts on melavonate pathway for cholesterol production in the liver but high level of cholesterol in the body may lead to cardiovascular disease where low density lipoprotein accumulates and forms atherosclerotic plaque. In clinical treatment, drug statin is used to block 3-hydroxy-3-methyl-glutaryl-CoA reductase function to reduce the risk of cardiovascular disease but there are unwanted effects where drug statin may cause muscle pain and liver damage. Naturally obtained phytonutrient compounds, geraniin and urolithin groups from dukung anak or scientifically known as Phyllanthus sp. were evaluated for 3-hydroxy-3-methyl-glutaryl-CoA reductase inhibitory activity using in silico docking studies. Most of these compounds were found to be potent inhibitors of 3-hydroxy-3-methyl-glutaryl-CoA reductase in comparison with known drugs of cardiovascular disease. The binding energies of urolithin A, urolithin B-glucoronide and urolithin D-glucoronide were compared with that of geraniin and it was found that these phytonutrient compounds may have more potent inhibition of 3-hydroxy-3-methyl-glutaryl-CoA reductase comparable with the current drug for cardiovascular disease.
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