<?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%">Neneng Siti Silfi Ambarwati</style></author><author><style face="normal" font="default" size="100%">Azminah Azminah</style></author><author><style face="normal" font="default" size="100%">Islamudin Ahmad</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular Docking, Physicochemical and Drug-likeness Properties of Isolated Compounds from Garcinia latissima Miq. on Elastase Enzyme: In Silico Analysis</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%">Drug likeness</style></keyword><keyword><style  face="normal" font="default" size="100%">Elastase enzyme</style></keyword><keyword><style  face="normal" font="default" size="100%">Garcinia latissima Miq.</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking study</style></keyword><keyword><style  face="normal" font="default" size="100%">Physicochemical properties</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">April 2022</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">282-288</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;Garcinia latissima Miq. belongs to the &lt;em&gt;Clusiaceae&lt;/em&gt; family that has been studied with activity as an antibacterial and anti-elastase &lt;em&gt;in vitro. &lt;/em&gt;The inhibitory ability of the elastase enzyme from the&lt;em&gt; G. latissima&lt;/em&gt; extract. This needs to be tested further by an&lt;em&gt; in silico &lt;/em&gt;molecular docking study of the compound. Previous studies have shown that 4-oxo-β-lactam crystals are selective against the human neutrophil elastase (an enzyme protease). It has a structural relationship with its activity to become the basis for inhibiting the elastase enzyme. The purpose of this&lt;em&gt; in silico&lt;/em&gt; study was to test whether the isolated compounds from &lt;em&gt;G. latissima&lt;/em&gt; (including friedelin, 6-deoxyjacareubin, amentoflavone, and Robusta flavone). The &lt;em&gt;in silico&lt;/em&gt; molecular docking method used was Autodock 4.2.6 molecular docking software. This protocol is used to test friedelin, 6-deoxyjacareubin, amentoflavone, and Robusta flavone as ligands for the elastase enzyme receptor. The protocol's output was analyzed using the Accelrys Discovery Studio Visualizer 4.0 post-docking analysis method. The results showed that isolated compounds, including amentoflavone, friedelin, and 6-deoxyjacareubin, are active ligands against porcine pancreatic elastase with the free binding energy of -10.94, -7.17, and -6.72 kcal/mol, respectively, and form hydrogen bonds, van der Walls, alkyl, electrostatic, and hydrophobic interaction.&lt;em&gt; In silico&lt;/em&gt; physicochemical, lipophilicity, water-soluble, pharmacokinetics, and drug-likeness properties prediction showed characteristics prediction of isolated compound. This study provides an overview of the molecular interactions of isolates compounds from&lt;em&gt; G. latissima&lt;/em&gt; against the elastase enzyme.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><accession-num><style face="normal" font="default" size="100%">05</style></accession-num><section><style face="normal" font="default" size="100%">282</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Neneng Siti Silfi Ambarwati&lt;sup&gt;1&lt;/sup&gt;, Azminah Azminah&lt;sup&gt;2&lt;/sup&gt;, Islamudin Ahmad&lt;sup&gt;3,*&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Cosmetology, Faculty of Engineering, Universitas Negeri Jakarta, East Jakarta 13220, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Faculty of Pharmacy, University of Surabaya, Surabaya, East Java, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Mulawarman, Samarinda 75119, East Kalimantan, INDONESIA.&lt;/p&gt;
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