{"title":"Substituted Fe(II)-terpyridyl complexes for DNA binding studies","authors":"Rahat Gupta, Shriya Mahajan, Amlan K. Pal","doi":"10.1007/s11243-024-00607-5","DOIUrl":null,"url":null,"abstract":"<div><p>Four Fe(II) complexes, <b>1</b>–<b>3</b> and <b>R1</b> with differently substituted tpy ligands were synthesized and characterized by a set of analytical techniques including 1D (<sup>1</sup>H, <sup>13</sup>C, 135-<sup>13</sup>C DEPT-135), 2D (<sup>1</sup>H-<sup>1</sup>H COSY) NMR spectroscopies and high-resolution mass spectrometry (HRMS). The ability of each compound to bind DNA was assessed by UV–visible titration assays using DNA extracted from Pisum sativum (split peas). UV–visible titration tests were performed to ascertain the binding affinity of these complexes with DNA, and the results indicated that the complexes are groove binders with binding constants in the range of 1.23–2.66 × 10<sup>4</sup>. To confirm that the complexes were binding with DNA through groove-binding, molecular docking studies using <b>1</b> and <b>2</b> with Dickerson-drew dodecamer B-DNA structure (PDB ID: 1B-DNA) were carried out which showed compatibility with the experimental data.</p></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"50 1","pages":"89 - 99"},"PeriodicalIF":1.6000,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Transition Metal Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11243-024-00607-5","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
Four Fe(II) complexes, 1–3 and R1 with differently substituted tpy ligands were synthesized and characterized by a set of analytical techniques including 1D (1H, 13C, 135-13C DEPT-135), 2D (1H-1H COSY) NMR spectroscopies and high-resolution mass spectrometry (HRMS). The ability of each compound to bind DNA was assessed by UV–visible titration assays using DNA extracted from Pisum sativum (split peas). UV–visible titration tests were performed to ascertain the binding affinity of these complexes with DNA, and the results indicated that the complexes are groove binders with binding constants in the range of 1.23–2.66 × 104. To confirm that the complexes were binding with DNA through groove-binding, molecular docking studies using 1 and 2 with Dickerson-drew dodecamer B-DNA structure (PDB ID: 1B-DNA) were carried out which showed compatibility with the experimental data.
期刊介绍:
Transition Metal Chemistry is an international journal designed to deal with all aspects of the subject embodied in the title: the preparation of transition metal-based molecular compounds of all kinds (including complexes of the Group 12 elements), their structural, physical, kinetic, catalytic and biological properties, their use in chemical synthesis as well as their application in the widest context, their role in naturally occurring systems etc.
Manuscripts submitted to the journal should be of broad appeal to the readership and for this reason, papers which are confined to more specialised studies such as the measurement of solution phase equilibria or thermal decomposition studies, or papers which include extensive material on f-block elements, or papers dealing with non-molecular materials, will not normally be considered for publication. Work describing new ligands or coordination geometries must provide sufficient evidence for the confident assignment of structural formulae; this will usually take the form of one or more X-ray crystal structures.