<?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%">Retno Prihatiningtyas</style></author><author><style face="normal" font="default" size="100%">Rezi Riadhi Syahdi</style></author><author><style face="normal" font="default" size="100%">Masteria Yunovilsa Putra</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%">Establishment of a 3D-structure Database for Chemical Compounds in Indonesian Sponges</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%">2D-and 3D-chemical structures</style></keyword><keyword><style  face="normal" font="default" size="100%">3D-database of chemical structures</style></keyword><keyword><style  face="normal" font="default" size="100%">Evaluation of software packages</style></keyword><keyword><style  face="normal" font="default" size="100%">Indonesian sponges</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">October 2019</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">11</style></volume><pages><style face="normal" font="default" size="100%">1211-1218</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;&lt;strong&gt;Objective: &lt;/strong&gt;Nowadays, There hasn’t any three-dimensional (3D) chemical structure database yet for biologically active compound in sponges from Indonesian origin. Therefore, this study aimed to create &lt;em&gt;in silico&lt;/em&gt; a 3D-structure database of such compound and to evaluate the preferred software for this purpose. &lt;strong&gt;Methods:&lt;/strong&gt; 2D- structure of selected compounds was established using MarvinSketch software. Conversion from 2D- into 3D-structures was evaluated by comparing MarvinSketch, OpenBabel and VegaZZ software packages. Visualization of the respective 3D-structures was perfomed by using PyMOL software. From 68 scientific articles, 212 chemical compounds were selected from 53 Indonesian sponge species. &lt;strong&gt;Results: &lt;/strong&gt;The conversion of 2D-structures of the selected 212 chemical compound into 3D-structures lead to 7118 files, respectively consisting of 2508 files from the MarvinSketch, 1672 files from the OpenBabel and 1051 files from the VegaZZ software. The results based on the extention files were 1043 SDF, 1258 MOL and 2930 PDB format files of the three-dimensional structure. The valid and correct three-dimensional structure of chemical compound were 914 .sdf format files, 916 format .mol files and 72 .pdb format files. From the three-dimensional structures visualization, the database prefers established by using MarvinSketch with SDF or MOL format files since the results is consistent to literature and contain less number of errors.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">1211</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Retno Prihatiningtyas&lt;sup&gt;1&lt;/sup&gt;, Rezi Riadhi Syahdi&lt;sup&gt;1&lt;/sup&gt;, Masteria Yunovilsa Putra&lt;sup&gt;2&lt;/sup&gt;, Arry Yanuar&lt;sup&gt;1&lt;/sup&gt;,* &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Biomedical Computation and Drug Design Laboratory, Faculty of Pharmacy, Universitas Indonesia, Depok 16424, INDONESIA&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Research Center for Oceanography, Indonesian Institute of Sciences, Jl. Pasir Putih I, Ancol Timur, Jakarta 14430, INDONESIA.&lt;/p&gt;
</style></auth-address></record><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%">Muhammad Sulaiman Zubair</style></author><author><style face="normal" font="default" size="100%">Subehan Lallo</style></author><author><style face="normal" font="default" size="100%">Masteria Yunovilsa Putra</style></author><author><style face="normal" font="default" size="100%">Tri Aryono Hadi</style></author><author><style face="normal" font="default" size="100%">Ibrahim Jantan</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Antibacterial and Cytotoxic Activities of Sponges Collected off the Coast of Togean Islands, Indonesia</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%">Antibacterial</style></keyword><keyword><style  face="normal" font="default" size="100%">Cytotoxicity</style></keyword><keyword><style  face="normal" font="default" size="100%">MTT</style></keyword><keyword><style  face="normal" font="default" size="100%">Sponges</style></keyword><keyword><style  face="normal" font="default" size="100%">Togean Islands</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%">August 2018</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">10</style></volume><pages><style face="normal" font="default" size="100%">988-992</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;Context:&lt;/strong&gt; Marine sponges (Porifera: Demospongia) have astonishing structural diversity and broad biological activities.&lt;strong&gt; Aims:&lt;/strong&gt; To evaluate the antibacterial and cytotoxic activities of five sponges collected off the coast of Togean Islands, Indonesia, identified as &lt;em&gt;Spheciospongia inconstan, Melophlus sarasironum, Oceanapia amboinensis, Biemna&lt;/em&gt; sp and &lt;em&gt;Axinella&lt;/em&gt; sp. &lt;strong&gt;Methods and Material:&lt;/strong&gt; All dried sponges materials were extracted by maceration method using methanol and then evaporated by the rotary evaporator to obtain viscous extracts. The determination of antibacterial activity was performed by well agar diffusion method against &lt;em&gt;Staphylococcus aureus&lt;/em&gt; and &lt;em&gt;Escherichia coli&lt;/em&gt; while the cytotoxic activity was determined by MTT methods on human breast adenocarcinoma (MCF-7) and human colon colorectal carcinoma (HCT-116), followed by determination of the apoptosis mechanism by Annexin V-FTIC assay. &lt;strong&gt;Results:&lt;/strong&gt;&lt;em&gt; M. sarasinorum and Axinella&lt;/em&gt; sp showed strong inhibition against S.aureus and E.coli with the diameter of inhibition of 14.21 &amp;plusmn; 0.92 mm and 14.36 &amp;plusmn; 0.92 mm, and 10.01 &amp;plusmn; 2.65 mm and 12.07 &amp;plusmn; 1.54 mm, respectively. Moreover, they also exhibited potent cytotoxicity on HCT-116 with IC&lt;sub&gt;50&lt;/sub&gt; values of 0.002 and 8.518 &amp;mu;g/mL, respectively. Meanwhile, on MCF-7, only M. sarasinorum showed moderate inhibition with an IC&lt;sub&gt;50&lt;/sub&gt; value of 87.35 &amp;mu;g/mL. Annexin V-FTIC assay clearly showed that the cytotoxic mechanism of &lt;em&gt;M. sarasinorum and Axinella&lt;/em&gt; sp on HCT-116 and MCF-7 was via apoptosis induction. &lt;strong&gt;Conclusion:&lt;/strong&gt; The sponges of &lt;em&gt;M. Sarasinorum and Axinella&lt;/em&gt; sp are undergoing further analysis to identify the active constituents which could be developed as potential antibacterial and anticancer agents.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">988</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;strong&gt;Muhammad Sulaiman Zubair&lt;sup&gt;1*&lt;/sup&gt;, Subehan Lallo&lt;sup&gt;2&lt;/sup&gt;, Masteria Yunovilsa Putra&lt;sup&gt;3&lt;/sup&gt;, Tri Aryono Hadi&lt;sup&gt;3&lt;/sup&gt;, Ibrahim Jantan&lt;sup&gt;4 &lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Department of Pharmacy, Faculty of Sciences, Tadulako University, Kampus Bumi Tadulako, Palu, INDONESIA.&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmacy, Faculty of Pharmacy, Hasanuddin University, Makassar, INDONESIA.&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Research Centre for Oceanography, Indonesian Institute of Sciences, Jl. Pasir Putih I, Ancol Timur, Jakarta, INDONESIA.&lt;/p&gt;
&lt;p style=&quot;text-align: justify;&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Drug and Herbal Research Center, Faculty of Pharmacy, National University of Malaysia, Kuala Lumpur, MALAYSIA.&lt;/p&gt;</style></auth-address></record></records></xml>