<?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%">Ersanda Nurma Praditapuspa</style></author><author><style face="normal" font="default" size="100%">Siswandono</style></author><author><style face="normal" font="default" size="100%">Tri Widiandani</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">In Silico Analysis of Pinostrobin Derivatives from Boesenbergia pandurata on ErbB4 Kinase Target and QSPR Linear Models to Predict Drug Clearance for Searching Anti-Breast Cancer Drug Candidates</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%">5-O-acylpinostrobin</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">PASS</style></keyword><keyword><style  face="normal" font="default" size="100%">Pharmacokinetic</style></keyword><keyword><style  face="normal" font="default" size="100%">Physicochemical properties</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">September 2021</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">1143-1149</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;Background: &lt;/strong&gt;ErbB4 is a member of ErbB family of receptor tyrosine kinases (RTKs) and plays an important role in resistance to ErbB2 inhibitors. &lt;strong&gt;Objective:&lt;/strong&gt; This study aimed to design a pinostrobin derivative with activity as an ErbB4 inhibitor and to establish a quantitative structure-property relationship (QSPR) of pinostrobin and its derivatives to predict drug clearance. &lt;strong&gt;Materials and Methods:&lt;/strong&gt; In this research, an in silico study was conducted on pinostrobin and its derivatives by predicting the prediction of activity spectra for substances (PASS) with PASS online, followed by molecular docking using the AutoDockTools 4.2.6 program on ErbB4 protein kinase and visualizing the docking results using the Discovery Studio Visualizer software. While the study of QSPR pinostrobin and its derivatives was determined using physicochemical parameters with clearance (CL&lt;sub&gt;tot&lt;/sub&gt;) using SPSS. &lt;strong&gt;Results:&lt;/strong&gt; From the data obtained, 5-O-2- phenylacetylpinostrobin has a high affinity for ErbB4 protein with a free energy of binding (ΔG) -10.37 kcal/mol and an inhibition constant (Ki) of 26.06 nM. &lt;strong&gt;Conclusion:&lt;/strong&gt; Probability “to be active” (Pa) 5-O-2- phenylacetylpinostrobin of 0.595 for kinase inhibitors and 0.666 for apoptosis agonists, thus becoming candidates for breast cancer drugs. The QSPR model can be used to predict the properties of molecules such as CL&lt;sub&gt;tot&lt;/sub&gt;, this will be useful in the drug design process. The best QSPR regression equation for pinostrobin and its derivatives is Log (1/CL&lt;sub&gt;tot&lt;/sub&gt;) = 0.705 Log S + 0.035 MR + 0.375. This equation can be used as a reference in predicting CL&lt;sub&gt;tot&lt;/sub&gt;.&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%">1143</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Ersanda Nurma Praditapuspa&lt;sup&gt;1&lt;/sup&gt;, Siswandono&lt;sup&gt;2,&lt;/sup&gt;*, Tri Widiandani&lt;sup&gt;2&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Master Program of Pharmaceutical Sciences, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Airlangga University, Surabaya, 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%">Agriana Rosmalina Hidayati</style></author><author><style face="normal" font="default" size="100%">Aty Widyawaruyanti</style></author><author><style face="normal" font="default" size="100%">Hilkatul Ilmi</style></author><author><style face="normal" font="default" size="100%">Mulyadi Tanjung</style></author><author><style face="normal" font="default" size="100%">Tri Widiandani</style></author><author><style face="normal" font="default" size="100%">Siswandono</style></author><author><style face="normal" font="default" size="100%">Din Syafruddin</style></author><author><style face="normal" font="default" size="100%">Achmad Fuad Hafid</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Antimalarial Activity of Flavonoid Compound Isolated from Leaves of Artocarpus altilis</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%">Artocarpus altilis</style></keyword><keyword><style  face="normal" font="default" size="100%">Cysteine protease inhibitor</style></keyword><keyword><style  face="normal" font="default" size="100%">Dihydrochalcones</style></keyword><keyword><style  face="normal" font="default" size="100%">P. falciparum 3D7</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2020</style></year><pub-dates><date><style  face="normal" font="default" size="100%">June 2020</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">12</style></volume><pages><style face="normal" font="default" size="100%">835-842</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;Introduction: &lt;/strong&gt;&lt;em&gt;Artocarpus altilis&lt;/em&gt; leaves extract has previously been reported as a potential antimalarial drug. Inhibition concentration (IC&lt;sub&gt;50&lt;/sub&gt;) against &lt;em&gt;P. falciparum&lt;/em&gt; and effective dose values (ED&lt;sub&gt;50&lt;/sub&gt;) against P. berghei have been reported at 1.32 μg/ml and 0.82 mg/kg, respectively. The aim of this study is to identify the active compound from the ethanol extract of &lt;em&gt;A. Altilis&lt;/em&gt; leaves against &lt;em&gt;P. falciparum.&lt;/em&gt; Materials and Methods: The isolation of the active compound from the ethanol extract of&lt;em&gt; A. altilis &lt;/em&gt;were conducted using chromatography methods, and the chemical structure of the isolated compounds was determined based on NMR and MS spectra data. Antimalarial assay was determined using microscopic method against &lt;em&gt;P. falciparum&lt;/em&gt; 3D7 and molecular docking studies was performed using Molegro Virtual Docker version 5.5 program. &lt;strong&gt;Results:&lt;/strong&gt; A flavonoid compound, class of dihydrochalcone was finally isolated from &lt;em&gt;A. altilis &lt;/em&gt;and identified as&lt;em&gt; 1-(2,4-dihydroxy phenyl)-3-[8-hydroxy-2-methyl-2-(4-methyl-3- pentenyl)-2H-1-benzopyran-5-yl]-1-propanone&lt;/em&gt; (Compound-1). Antimalarial activity test revealed that the compound strongly inhibited &lt;em&gt;P. falciparum&lt;/em&gt; growth, with IC&lt;sub&gt;50&lt;/sub&gt; value of 1.05 μM. An in silico study to determine the mechanism of action of the compound revealed the existence a 3.BPF receptor that possesses a cysteine protease inhibitor of falcipain-2. &lt;strong&gt;Conclusion: &lt;/strong&gt;Compound-1 were isolated from the leaves of &lt;em&gt;A. Altilis&lt;/em&gt; is a good candidate of new source in the development of antimalarial drugs. An animal study using this compound is recommended before a clinical trial.&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%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">835</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Agriana Rosmalina Hidayati&lt;sup&gt;1,2&lt;/sup&gt;, Aty Widyawaruyanti&lt;sup&gt;3,4,&lt;/sup&gt;*, Hilkatul Ilmi&lt;sup&gt;4&lt;/sup&gt;, Mulyadi Tanjung&lt;sup&gt;4,5&lt;/sup&gt;, Tri Widiandani&lt;sup&gt;6&lt;/sup&gt;, Siswandono&lt;sup&gt;6&lt;/sup&gt;, Din Syafruddin&lt;sup&gt;7,8&lt;/sup&gt;, Achmad Fuad Hafid&lt;sup&gt;3,4&lt;/sup&gt; &lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Post Graduate Student of Department of Pharmacognosy and Phytochemistry, Faculty of Pharmacy, Universitas Airlangga, Surabaya 60115, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Pharmacology, Faculty of Medicine, Universitas Mataram, Mataram 83125, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pharmacognosy and Phytochemistry, Faculty of Pharmacy, Universitas Airlangga, Surabaya 60826, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Natural Product Medicine Research and Development, Institute of Tropical Disease, Universitas Airlangga, Surabaya 60115, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Chemistry, Faculty of Science and Technology, Universitas Airlangga, Surabaya 60115, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Departement of Pharmaceutical Chemistry Faculty of Pharmacy, Universitas Airlangga, Surabaya 60115, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Eijkman Institute for Molecular Biology, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Department of Parasitology, Faculty of Medicine, Hasanuddin University, Makassar 90245, INDONESIA.&lt;/p&gt;
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