publication . Article . 2018

Molecular dynamic simulation of hydroxymethylglutaryl-coa reductase inhibitors from gnetum gnemon l. Seed extract

Yuditya Artha; Arif Arrahman; Azminah Azminah A; Arry Yanuar;
Open Access English
  • Published: 15 Jun 2018
  • Country: Netherlands
Abstract
Objective: Gnetum gnemon L. (melinjo) seed extract contained trans-resveratrol which has been shown to inhibit hydroxymethylglutaryl-CoA (HMG-CoA) reductase. Therefore it has a potent activity for lowering blood cholesterol. This study was carried out to determine the molecular dynamics simulation of HMG-CoA reductase inhibitors from Gnetum gnemon L. seed extract. Methods: Molecular dynamics simulation using AMBER was used. The simulation was set at 300 K as default temperature and 310 K, average human body temperature. The main parameters of this study were ligand-residue interaction, binding affinity, root mean square deviation (RMSD), root mean square fluctua...
Subjects
free text keywords: Gnetum gnemon L, Hydroxymethylglutaryl-CoA reductase inhibitor, Molecular dynamics, Trans-resveratrol, Pharmacology, Drug Discovery, Root-mean-square deviation, Molecular mechanics, Hydrogen bond, Gnetum gnemon, biology.organism_classification, biology, Organic chemistry, Viniferin, Stereochemistry, Ligand (biochemistry), Materials science, Reductase
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publication . Article . 2018

Molecular dynamic simulation of hydroxymethylglutaryl-coa reductase inhibitors from gnetum gnemon l. Seed extract

Yuditya Artha; Arif Arrahman; Azminah Azminah A; Arry Yanuar;