A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 Sequence
Herein, we report the structure-based selection via molecular docking of four <i>N</i>-heterocyclic bis-carbene gold(I) complexes, whose potential as ligands for the hTel23 G-quadruplex structure has been investigated using circular dichroism (CD) spectroscopy, CD melting, and polyacryla...
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2024-11-01
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| author | Maria Marzano Filippo Prencipe Pietro Delre Giuseppe Felice Mangiatordi Gabriele Travagliante Luisa Ronga Gennaro Piccialli Michele Saviano Stefano D’Errico Diego Tesauro Giorgia Oliviero |
| author_facet | Maria Marzano Filippo Prencipe Pietro Delre Giuseppe Felice Mangiatordi Gabriele Travagliante Luisa Ronga Gennaro Piccialli Michele Saviano Stefano D’Errico Diego Tesauro Giorgia Oliviero |
| author_sort | Maria Marzano |
| collection | DOAJ |
| description | Herein, we report the structure-based selection via molecular docking of four <i>N</i>-heterocyclic bis-carbene gold(I) complexes, whose potential as ligands for the hTel23 G-quadruplex structure has been investigated using circular dichroism (CD) spectroscopy, CD melting, and polyacrylamide gel electrophoresis (PAGE). The complex containing a bis(1,2,3,4,6,7,8,9-octahydro-11<i>H</i>-11<i>λ</i><sup>3</sup>-pyridazino[1,2-a]indazol-11-yl) scaffold induces a transition from the hybrid (3 + 1) topology to a prevalent parallel G-quadruplex conformation, whereas the complex featuring a bis(2-(2-acetamidoethyl)-3<i>λ</i><sup>3</sup>-imidazo[1,5-a]pyridin-3(2<i>H</i>)-yl) moiety disrupted the original G-quadruplex structure. These results deserve particular attention in light of the recent findings on the pathological involvements of G-quadruplexes in neurodegenerative diseases. |
| format | Article |
| id | doaj-art-fa4d5e2d3e204837a0e815615d35e6d0 |
| institution | DOAJ |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | MDPI AG |
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| series | Molecules |
| spelling | doaj-art-fa4d5e2d3e204837a0e815615d35e6d02025-08-20T02:48:06ZengMDPI AGMolecules1420-30492024-11-012922544610.3390/molecules29225446A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 SequenceMaria Marzano0Filippo Prencipe1Pietro Delre2Giuseppe Felice Mangiatordi3Gabriele Travagliante4Luisa Ronga5Gennaro Piccialli6Michele Saviano7Stefano D’Errico8Diego Tesauro9Giorgia Oliviero10Centro di Servizio di Ateneo per le Scienze e Tecnologie per la Vita (CESTEV), University of Napoli Federico II, Via Tommaso De Amicis 95, 80145 Napoli, ItalyDepartment of Chemical and Pharmaceutical Sciences, University of Trieste, Via Licio Giorgieri 1, 34127 Trieste, ItalyInstitute of Crystallography (IC), CNR, Via Amendola 122/O, 70126 Bari, ItalyInstitute of Crystallography (IC), CNR, Via Amendola 122/O, 70126 Bari, ItalyDepartment of Chemical Sciences, University of Catania, Viale Andrea Doria 6, 95125 Catania, ItalyInstitute of Analytical and Physical Chemistry for the Environment and Materials (IPREM-UMR 5254), Université de Pau Et Des Pays de L’Adour, E2S UPPA, CNRS, 64053 Pau, FranceDepartment of Pharmacy, University of Naples Federico II, Via Domenico Montesano 49, 80131 Napoli, ItalyInstitute of Crystallography (IC), CNR, Via Vivaldi 43, 81100 Caserta, ItalyDepartment of Pharmacy, University of Naples Federico II, Via Domenico Montesano 49, 80131 Napoli, ItalyDepartment of Pharmacy, University of Naples Federico II, Via Domenico Montesano 49, 80131 Napoli, ItalyDepartment of Molecular Medicine and Medical Biotechnology, University of Napoli Federico II, Via Sergio Pansini 5, 80131 Napoli, ItalyHerein, we report the structure-based selection via molecular docking of four <i>N</i>-heterocyclic bis-carbene gold(I) complexes, whose potential as ligands for the hTel23 G-quadruplex structure has been investigated using circular dichroism (CD) spectroscopy, CD melting, and polyacrylamide gel electrophoresis (PAGE). The complex containing a bis(1,2,3,4,6,7,8,9-octahydro-11<i>H</i>-11<i>λ</i><sup>3</sup>-pyridazino[1,2-a]indazol-11-yl) scaffold induces a transition from the hybrid (3 + 1) topology to a prevalent parallel G-quadruplex conformation, whereas the complex featuring a bis(2-(2-acetamidoethyl)-3<i>λ</i><sup>3</sup>-imidazo[1,5-a]pyridin-3(2<i>H</i>)-yl) moiety disrupted the original G-quadruplex structure. These results deserve particular attention in light of the recent findings on the pathological involvements of G-quadruplexes in neurodegenerative diseases.https://www.mdpi.com/1420-3049/29/22/5446auranofincancerchemotherapy<i>N</i>-heterocyclic carbene gold(I) complexesG-quadruplexCD spectroscopy |
| spellingShingle | Maria Marzano Filippo Prencipe Pietro Delre Giuseppe Felice Mangiatordi Gabriele Travagliante Luisa Ronga Gennaro Piccialli Michele Saviano Stefano D’Errico Diego Tesauro Giorgia Oliviero A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 Sequence Molecules auranofin cancer chemotherapy <i>N</i>-heterocyclic carbene gold(I) complexes G-quadruplex CD spectroscopy |
| title | A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 Sequence |
| title_full | A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 Sequence |
| title_fullStr | A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 Sequence |
| title_full_unstemmed | A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 Sequence |
| title_short | A CD Study of a Structure-Based Selection of <i>N</i>-Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric hTel23 Sequence |
| title_sort | cd study of a structure based selection of i n i heterocyclic bis carbene gold i complexes as potential ligands of the g quadruplex forming human telomeric htel23 sequence |
| topic | auranofin cancer chemotherapy <i>N</i>-heterocyclic carbene gold(I) complexes G-quadruplex CD spectroscopy |
| url | https://www.mdpi.com/1420-3049/29/22/5446 |
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