Reactivity descriptors for DNA bases and the methylation of cytosine

机译：用于DNA碱基的反应性描述符和胞嘧啶的甲基化

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Abstract >This work is devoted to the reactivity of DNA bases and base pairs. Various global molecular descriptors for reactivity were studied in addition to local descriptors for Cytosine and Cytosine‐Guanine base pairs using three different ways of analysing the charge distribution. The process of methylation was selected since it is very important during the cell formation at the embryonic state and since much is already known about this system making an assessment of the quality of the theoretical approaches possible. The results reveal that Cytosine is the least reactive molecule among the bases although it can be attacked by the DNMT enzyme while paired with Guanine. Amain finding of the present work is, however, that by analysing the Fukui function and a dual descriptor we can rationalise that carbon at position 5 of Cytosine is the most favorable site for the methyl attack. </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 Type =“main”> <title类型=“main”>抽象</ title> >本工作致力于DNA基础和碱基对的反应性。除了使用三种不同的分析电荷分布的不同方式，除了胞嘧啶和胞嘧啶 - 鸟嘌呤碱基对的局部描述夹之外还研究了用于反应性的各种全局分子描述夹。选择甲基化的方法，因为在胚胎状态下的细胞形成期间非常重要，并且由于该系统已经众所周知，因此评估了理论方法的质量。结果表明，胞嘧啶是碱基中最少的反应性分子，尽管它可以被DNMT酶攻击，同时与鸟嘌呤配对。然而，Amain发现本作本作的是，通过分析福井函数和双描述符，我们可以将该碳在胞嘧啶5位的碳是最有利的部位，用于甲基攻击。</ p> </摘要> </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-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第11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=Jerbi Jihène&option=202" target="_blank" rel="nofollow">Jerbi Jihène;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Springborg Michael&option=202" target="_blank" rel="nofollow">Springborg Michael;</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>Physical and Theoretical ChemistrySaarland University66123 Saarbrücken Germany;</p> <p>Physical and Theoretical ChemistrySaarland University66123 Saarbrücken Germany;</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/1186.html" title="物理化学（理论化学）、化学物理学">物理化学（理论化学）、化学物理学;</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=cytosine&option=203" rel="nofollow">cytosine;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=DFT calculation&option=203" rel="nofollow">DFT calculation;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=DNA methylation&option=203" rel="nofollow">DNA methylation;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=dual descriptor&option=203" rel="nofollow">dual descriptor;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Fukui function&option=203" rel="nofollow">Fukui function;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=reactivity&option=203" rel="nofollow">reactivity;</a> </p> <div class="translation"> 机译：胞嘧啶;DFT计算;DNA甲基化;双描述符;福井功能;反应性; </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> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704019755858.html">Reactivity descriptors for DNA bases and the methylation of cytosine</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Jerbi Jihène&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Jerbi Jihène,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Springborg Michael&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Springborg Michael </a> <a href="/journal-foreign-21753/" target="_blank" rel="nofollow" class="tuijian_authcolor">International Journal of Quantum Chemistry .</a> <span>2018</span><span>,第11期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：用于DNA碱基的反应性描述符和胞嘧啶的甲基化</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/academic-journal-foreign_current-medicinal-chemistry_thesis/020413385416.html">Mammalian Cytosine DNA Methyltransferase Dnmt1: Enzymatic Mechanism, Novel Mechanism-Based Inhibitors, and RNA-directed DNA Methylation</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zeljko M. 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class="enjiyixqcontent" href="/academic-journal-foreign-pmc_detail_thesis/040001854323.html">Chemical reactivity of matched cytosine and thymine bases near mismatched and unmatched bases in a heteroduplex between DNA strands with multiple differences.</a> <b>[O] </b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=R G Cotton&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">R G Cotton,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=R D Campbell&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">R D Campbell </a> <span>1989</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：匹配的胞嘧啶和胸腺嘧啶碱基在具有多个差异的DNA链之间的异源双链体中错配和不匹配碱基附近的化学反应性。</span> </p> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" 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href="/conference-cn-4501/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 第七次全国动物生物技术学术研讨会暨新疆畜牧科学院第六次学术年会 </a> <span> <span> . 2013</span> </span> </div> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/academic-degree-domestic_mphd_thesis/020311493674.html">DNA胞嘧啶修饰碱基与小肝癌临床预后及靶向IRAK1在肝癌中的作用研究</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=江金华&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 江金华</a> <span> . 2016</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06120101424504.html">一种区分DNA中5-甲基化胞嘧啶和5-羟甲基化胞嘧啶的方法</a> <b>[P]</b> . <span> 中国专利： CN110527708A </span> <span> . 2019-12-03</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06120108572845.html">用于产生双链DNA文库的方法和用于鉴定甲基化胞嘧啶的测序方法</a> <b>[P]</b> . <span> 中国专利： CN106103743A </span> <span> . 2016-11-09</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130437679434.html">Detecting cytosine methylation in genomic DNA samples in which all unmethylated cytosine bases are converted to uracil and the 5-methylcytosine bases remain unchanged</a> <b>[P]</b> . <span> 外国专利：  NZ538608A </span> <span> . 2006-08-31</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：检测基因组DNA样品中的胞嘧啶甲基化，其中所有未甲基化的胞嘧啶碱基均转化为尿嘧啶，而5-甲基胞嘧啶碱基保持不变 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130440022758.html">Detecting cytosine methylation in genomic DNA samples in which all unmethylated cytosine bases are converted to uracil and the 5-methylcytosine bases remain unchanged</a> <b>[P]</b> . <span> 外国专利：  NZ527350A </span> <span> . 2005-09-30</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：检测基因组DNA样品中的胞嘧啶甲基化，其中所有未甲基化的胞嘧啶碱基均转化为尿嘧啶，而5-甲基胞嘧啶碱基保持不变 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130435405106.html">Method for distinguishing 5-position methylation changes of cytosine bases and cytosine-to-thymine mutations and for detecting single nucleotide polymorphisms (SNPs) or point mutations in genomic DNA</a> <b>[P]</b> . <span> 外国专利：  US7179594B1 </span> <span> . 2007-02-20</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：区分胞嘧啶碱基和胞嘧啶-胸腺嘧啶突变的5-位甲基化变化并检测基因组DNA中单核苷酸多态性（SNP）或点突变的方法 </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> </div> <div 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