Probing the mechanism of interaction of metoprolol succinate with human serum albumin by spectroscopic and molecular docking analysis

Pawar Suma K.; Jaldappagari Seetharamappa

摘要

Abstract >In the present work, the mechanism of the interaction between a β1 receptor blocker, metoprolol succinate (MS) and human serum albumin (HSA) under physiological conditions was investigated by spectroscopic techniques, namely fluorescence, Fourier transform infra‐red spectroscopy (FT‐IR), fluorescence lifetime decay and circular dichroism (CD) as well as molecular docking and cyclic voltammetric methods. The fluorescence and lifetime decay results indicated that MS quenched the intrinsic intensity of HSA through a static quenching mechanism. The Stern–Volmer quenching constants and binding constants for the MS–HSA system at 293, 298 and 303?K were obtained from the Stern–Volmer plot. Thermodynamic parameters for the interaction of MS with HSA were evaluated; negative values of entropy change (ΔG°) indicated the spontaneity of the MS and HSA interaction. Thermodynamic parameters such as negative ΔH° and positive ΔS° values revealed that hydrogen bonding and hydrophobic forces played a major role in MS–HSA interaction and stabilized the complex. The binding site for MS in HSA was identified by competitive site probe experiments and molecular docking studies. These results indicated that MS was bound to HSA at Sudlow's site I. The efficiency of energy transfer and the distance between the donor (HSA) and acceptor (MS) was calculated based on the theory of Fosters' resonance energy transfer (FRET). Three‐dimensional fluorescence spectra and CD results revealed that the binding of MS to HSA resulted in an obvious change in the conformation of HSA. Cyclic voltammograms of the MS–HSA system also confirmed the interaction between MS and HSA. Furthermore, the effects of metal ions on the binding of MS to HSA were also studied. </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”> <标题类型=“main”>摘要</标题> >在本作的工作中，β1受体阻滞剂的相互作用机制，美托洛尔琥珀酸盐（MS）和人血清白蛋白（通过光谱技术研究了在生理条件下，即荧光，傅里叶变换红外光谱（FT-IR），荧光寿命衰减和圆形二色性（CD）以及分子对接和循环伏安方法。荧光和寿命衰减结果表明，MS通过静态淬火机制淬灭了HSA的内在强度。从船尾波尔图中获得了293,298和303Ω·303〜303〜303〜303〜MS-HSA系统的船尾淬火常数和结合常数。评估MS与HSA相互作用的热力学参数;熵变化（ΔG°）的负值表示MS和HSA交互的自发性。诸如负ΔH°和正ΔS°的热力学参数表明，氢键和疏水力在MS-HSA相互作用中起主要作用并稳定了复合物。通过竞争性部位探测实验和分子对接研究鉴定了HSA中MS的结合位点。这些结果表明，MS在Sudlow的部位I的HSA结合。基于促进促进谐振能量转移（FRET）的理论，计算能量转移效率和供体（HSA）和受体（MS）之间的距离。三维荧光光谱和Cd结果表明，MS对HSA的结合导致HSA的构象的明显变化。 MS-HSA系统的循环伏安图也证实了MS和HSA之间的相互作用。此外，还研究了金属离子对MS至HSA的结合的影响。</ 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-26441/'>《Luminescence: The journal of biological and chemical luminescence》</a> <b style="margin: 0 2px;">|</b><span>2017年第6期</span><b style="margin: 0 2px;">|</b><span>共10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=Pawar Suma K.&option=202" target="_blank" rel="nofollow">Pawar Suma K.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Jaldappagari Seetharamappa&option=202" target="_blank" rel="nofollow">Jaldappagari Seetharamappa;</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>Department of ChemistryKarnatak UniversityDharwad India;</p> <p>Department of ChemistryKarnatak UniversityDharwad India;</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/1345.html" title="生物光学">生物光学;</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=binding&option=203" rel="nofollow">binding;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=fluorescence quenching&option=203" rel="nofollow">fluorescence quenching;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=FRET&option=203" rel="nofollow">FRET;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=metoprolol succinate&option=203" rel="nofollow">metoprolol succinate;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=molecular docking&option=203" rel="nofollow">molecular docking;</a> </p> <div class="translation"> 机译：结合;荧光猝灭;褶皱;美容栓塞琥珀酸盐;分子对接; </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 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<b>[P]</b> . <span> 中国专利： CN105237640B </span> <span> . 2019.01.18</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06120110898208.html">人血清白蛋白与人突变型肝细胞生长因子的融合蛋白及其制备方法和应用</a> <b>[P]</b> . <span> 中国专利： CN108424459A </span> <span> . 2018-08-21</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130467672271.html">CLONED PREPRO-HUMAN SERUM ALBUMIN GENE AND HUMAN SERUM ALBUMIN GENE, PLASMID CONTAINING THESE GENES,MICROORGANISM TRANSFORMED BY PLASMID,AND PRODUCTION OF PREPRO-HUMAN SERUM ALBUMIN BY USING SAID MICROORGANISM</a> <b>[P]</b> . <span> 外国专利：  JPH0198486A </span> <span> . 1989-04-17</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：克隆的原人类血清白蛋白基因和人类血清白蛋白基因，包含这些基因的质粒，质粒转化的微生物，以及通过使用所说的微生物生产原人类血清白蛋白 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130466231782.html">ARTIFICIAL GENE ENCODING AUTHENTIC human serum albumin, METHOD FOR PREPARATION THEREOF, RECOMBINANT DNA molecule containing GENE, host organism transformed therewith METHOD FOR PRODUCTION OF AUTHENTIC human serum albumin and pharmaceutical preparation containing BE MADE SERUM ALBUMIN</a> <b>[P]</b> . <span> 外国专利：  DK64990A </span> <span> . 1990-05-14</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：编码真实人血清白蛋白的人工基因，其制备方法，含基因的重组DNA分子，用其转化的宿主生物体制备真实人血清白蛋白的方法和含BE MADE血清白蛋白的药物制剂 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130466231781.html">artificial gene, which codes for authentic human serum albumin, method for manufacture thereof, recombinant dna molecule containing the gene, vaertsorganisme transformed therebyprocedure for the production of authentic human serum albumin, and pharmaceutical preparation containing serum albumin thus produced</a> <b>[P]</b> . <span> 外国专利：  DK64990D0 </span> <span> . 1990-03-13</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：编码真正的人血清白蛋白的人工基因，其制备方法，含有该基因的重组dna分子，由此转化的vaerts有机体生产真正的人血清白蛋白的方法以及由此产生的含有血清白蛋白的药物制剂 </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 class="right rightcon"> <div class="details_img cardcommon clearfix" style="margin-bottom: 10px;display:none;" > </div> </div> </div> <div id="thesis_get_original1" class="downloadBth" style="bottom: 19px;z-index: 999;" onclick="ywcd('0704023986402','4',7,2,1,'',this,24)" class="delivery" prompt="010401" title="通过人工服务将文献原文发送至邮箱" >获取原文</div> <div class="journalsub-pop-up" 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