<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Yuditya Artha</style></author><author><style face="normal" font="default" size="100%">Arif Arrahman</style></author><author><style face="normal" font="default" size="100%">Azminah</style></author><author><style face="normal" font="default" size="100%">Arry Yanuar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular Dynamic Simulation of Hydroxymethylglutaryl-CoA Reductase Inhibitors from Gnetum gnemon L. Seed Extract</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Gnetum gnemon L</style></keyword><keyword><style  face="normal" font="default" size="100%">Hydroxymethylglutaryl-CoA reductase inhibitor</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular dynamics</style></keyword><keyword><style  face="normal" font="default" size="100%">Trans-resveratrol</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">June 2018</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://fulltxt.org/article/672</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">10</style></volume><pages><style face="normal" font="default" size="100%">793-797</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Objective:&lt;/strong&gt; &lt;em&gt;Gnetum gnemon&lt;/em&gt; 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 &lt;em&gt;Gnetum gnemon&lt;/em&gt; L. seed extract. &lt;strong&gt;Methods:&lt;/strong&gt; 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 fluctuation (RMSF), hydrogen bonds analysis, molecular mechanics Poisson Boltzmann surface area (MMPBSA), and molecular mechanics generalized born surface area (MMGBSA). &lt;strong&gt;Results:&lt;/strong&gt; In the simulation study, trans-resveratrol, trans-piceid, gnemonol M, gnemonoside B, viniferin and gnetin C had shown lower energy than HMG (PDB ID: MAH), the substrate of HMG-CoA Reductase. Free energy binding obtained from simulation was between 11.1 to -31.38 kcal/mol. &lt;strong&gt;Conclusion:&lt;/strong&gt; The simulation at 310 K was preferable than 300 K as more interactions were performed and higher affinity was obtained.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">793</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Yuditya Artha, Arif Arrahman, Azminah, Arry Yanuar* &lt;/strong&gt;&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;Faculty of Pharmacy, Universitas Indonesia, Depok 16424 West Java, INDONESIA.&lt;/p&gt;</style></auth-address></record></records></xml>