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首页> 外文期刊>Molecular informatics >A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G‐quadruplex DNA c‐mycc‐myc and bcl‐2bcl‐2 Sequences
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A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G‐quadruplex DNA c‐mycc‐myc and bcl‐2bcl‐2 Sequences

机译：一种比较的对比策略，以鉴定多酚衍生物作为G-quadreplex DNA c-myc c-myc和 bcl-2 bcl-2序列

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Abstract > Polyphenols are compounds ubiquitously expressed in plants and used for their multiple healthy effects in humans as anti‐inflammatory, antimicrobial, antiviral, anticancer and immunomodulatory agents. Due to their ability to modulate the activity of multiple targets involved in carcinogenesis, polyphenols can be employed to inhibit the growth of cancer cells. Several studies reported their high affinity to different G‐quadruplex DNA structures, including the oncogene promoters c‐myc and bcl‐2 . In this work we applied a structure‐based virtual screening approach in order to screen a database of polyphenolic derivatives and human metabolites against both c‐myc and bcl‐2 DNA G‐quadruplex structures. A Delphinidine derivative was identified as the best “ dual ” candidate and, after molecular dynamics simulations, resulted able to well stabilize both receptors. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><abstract xmlns =“http://www.wiley.com/namespaces/wiley”type =“main”xml：lang =“en”> <title type =“main”>抽象</ title> >多酚是多酚植物中普遍地表达的化合物，并用于对人类的多重健康作用作为抗炎，抗菌，抗病毒，抗癌和免疫调节剂。由于它们能够调节癌症发生中涉及的多个靶的活性，可以使用多酚来抑制癌细胞的生长。几项研究报告了对不同G-Quadrepled DNA结构的高亲和力，包括癌基因促进剂 C-myc </ i>和 Bcl-2 -2。在这项工作中，我们应用了基于结构的虚拟筛选方法，以筛选多酚衍生物和人代谢物的数据库，对抗β1-Myc </ i>和 Bcl-2 </ i> DNA G-四边形结构。将替代司胺衍生物被鉴定为最佳“双</ i>”候选者，并且在分子动力学模拟之后，导致能够良好地稳定两个受体。 </ p> </ abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-25225/'>《Molecular informatics》</a> <b style="margin: 0 2px;">|</b><span>2016年第9期</span><b style="margin: 0 2px;">|</b><span>共12页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Costa Giosuè&option=202" target="_blank" rel="nofollow">Costa Giosuè;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Rocca Roberta&option=202" target="_blank" rel="nofollow">Rocca Roberta;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Moraca Federica&option=202" target="_blank" rel="nofollow">Moraca Federica;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Talarico Carmine&option=202" target="_blank" rel="nofollow">Talarico Carmine;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Romeo Isabella&option=202" target="_blank" rel="nofollow">Romeo Isabella;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Ortuso Francesco&option=202" target="_blank" rel="nofollow">Ortuso Francesco;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Alcaro Stefano&option=202" target="_blank" rel="nofollow">Alcaro Stefano;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Artese Anna&option=202" target="_blank" rel="nofollow">Artese Anna;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> <p>Università degli Studi “Magna Graecia” di Catanzaro Dipartimento di Scienze della SaluteCampus;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/173.html" title="普通生物学">普通生物学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=G-Quadruplexes&option=203" rel="nofollow">G-Quadruplexes;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Docking&option=203" rel="nofollow">Docking;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Oncogenic promoters&option=203" rel="nofollow">Oncogenic promoters;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Polyphenols&option=203" rel="nofollow">Polyphenols;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Virtual screening&option=203" rel="nofollow">Virtual screening;</a> </p> <div class="translation"> 机译：g-quadruplees;对接;致癌促进剂;多酚;虚拟筛选; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704023734911.html">A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G‐quadruplex DNA <i xmlns="http://www.wiley.com/namespaces/wiley">c‐mycc‐myc and <i xmlns="http://www.wiley.com/namespaces/wiley">bcl‐2bcl‐2 Sequences</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Costa Giosuè&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Costa Giosuè,</a> <a 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