<?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%">Rizki Rahmadi Pratama</style></author><author><style face="normal" font="default" size="100%">Irawati Sholikhah</style></author><author><style face="normal" font="default" size="100%">Sukardiman</style></author><author><style face="normal" font="default" size="100%">Ram Kumar Sahu</style></author><author><style face="normal" font="default" size="100%">Retno Widyowati</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Phytochemical Compounds Identification From 70% Ethanol Extract of Arcangelesia Flava (L.) Merr Stems Using LC-MS/MS and In-Silico Molecular Docking Approach as Inhibitor Interleukin-1β</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%">Arcangelisia flava (L.) Merr</style></keyword><keyword><style  face="normal" font="default" size="100%">Inhibitor interleukin-1β</style></keyword><keyword><style  face="normal" font="default" size="100%">LC-MS/MS</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular Docking.</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">15</style></volume><pages><style face="normal" font="default" size="100%">528-534</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;em&gt;Arcangelisia flava&lt;/em&gt; (L.) Merr has been traditionally used to treat jaundice, liver disease, diarrhea, fever, and inflammation. Judging from its potential, scientific evidence of this plant extract as an inhibitor of interleukin-1β is still lacking. This study aims to investigate the phytochemical compounds present in the 70% ethanol extract of &lt;em&gt;Arcangelesia flava &lt;/em&gt;stems by LC-MS/MS and to elucidate the ligand-protein interactions through &lt;em&gt;in-silico &lt;/em&gt;studies. The extract was found to contain alkaloids, flavonoids, furanoditerpene, hydroxyquinoline, phenylpropanoid, phenol, and fatty acids. According to molecular docking of the 15 compounds analyzed by LC-MS/MS, the compounds 3-hydroxy-3',4',5'-trimethoxyflavone (ΔG=-7.72 kcal/mol), fisisaine (ΔG=-6,91 kcal/mol), and demethyleneberberine (ΔG=-6.85 kcal/mol), which demonstrated the highest affinity for binding to the protein target. In addition, active amino acids contribute to this interaction by creating strong hydrogen bonds, such as MET148, LYS 103, and THR300. Phytochemical compounds from &lt;em&gt;Arcangelesia&lt;/em&gt; &lt;em&gt;flava&lt;/em&gt; may serve as adjunctive therapy or a promising source of advanced structures in drug discovery for treatments targeting interleukin-1β&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%">528</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p&gt;&lt;strong&gt;Rizki Rahmadi Pratama&lt;sup&gt;1&lt;/sup&gt;, Irawati Sholikhah&lt;sup&gt;2&lt;/sup&gt;, Sukardiman&lt;sup&gt;3&lt;/sup&gt;, Ram Kumar Sahu&lt;sup&gt;4&lt;/sup&gt;, Retno Widyowati&lt;sup&gt;3,*&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p&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&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Chemistry, Faculty of Sains and Technology, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pharmaceutical Sciences, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;

&lt;p&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Pharmaceutical Sciences, Hemvati Nandan Bahuguna Garhwal University (HNBGU) Srinagar Garhwal, Uttarakhand State, INDIA.&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%">Puja Adi Priatna</style></author><author><style face="normal" font="default" size="100%">Rizki Rahmadi Pratama</style></author><author><style face="normal" font="default" size="100%">Retno Widyowati</style></author><author><style face="normal" font="default" size="100%">Sukardiman</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular Docking Estrogen Receptor Alpha Antagonist and P53- MDM2 Inhibitor, ADMET Prediction of Alkaloid Compound from Mitragyna speciosa for Breast Cancer Therapy</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%">ADMET</style></keyword><keyword><style  face="normal" font="default" size="100%">Alkaloid</style></keyword><keyword><style  face="normal" font="default" size="100%">Breast cancer</style></keyword><keyword><style  face="normal" font="default" size="100%">Docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Mitragyna speciosa</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%">January 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">912-916</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;Breast cancer is one of the major universal health problems affecting more than two million cases per year. Estrogen receptor alpha (ERα) and P53 are common targets for the treatment of breast cancer and are primarily involved in cell proliferation. The function of p53 protein is regulated by direct binding to MDM2 protein. Therefore, inhibition of p53-MDM2 interaction leads to reactivating p53 activity. Alkaloid compounds generally have potential anticancer effect. Alkaloid compound from &lt;em&gt;Mitragyna speciosa &lt;/em&gt;have the potential for anticancer. &lt;strong&gt;Methods:&lt;/strong&gt; The method used is molecular docking with AutoDockTools 1.5.6 program. Predict the properties of physicochemical, pharmacokinetic, and toxicity prediction tests (ADMET) using pkCSM.&lt;strong&gt; Results:&lt;/strong&gt; The results showed that speciophylline, corynoxine A, and corynoxine B have the best values in free binding energy (ΔG) for estrogen receptor (ERα) alpha receptor. Meanwhile, mitraphylline, mitrafoline, and corynoxine B have the best values for protein P53. Predict ADMET using the pkCSM, the alkaloid compound has strong lipophilicity and good permeability so it predicts the ability to penetrate intestinal cell membranes and the skin membrane. Spesiofilin, mitraphylline, and mitrafolin are not expected hepatotoxic. &lt;strong&gt;Conclusion:&lt;/strong&gt; Speciophylline and mitraphylline have potential as anticancer drugs through the inhibitory of estrogen receptor alpha and MDM2 reseptor.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">6s</style></issue><work-type><style face="normal" font="default" size="100%">Original Article </style></work-type><section><style face="normal" font="default" size="100%">912</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Puja Adi Priatna, Rizki Rahmadi Pratama, Retno Widyowati, Sukardiman*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;Department of Pharmaceutical Sciences, Faculty of Pharmacy, Airlangga University, Surabaya, INDONESIA.&lt;/p&gt;
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