Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions
G-quadruplexes (G4s) are distinctive four-stranded nucleic acid structures formed by guanine-rich sequences, making them attractive targets for drug repurposing efforts. Modulating their stability and function holds promise for treating diseases like cancer. To identify potential drug candidates cap...
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| Format: | Article |
| Language: | English |
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MDPI AG
2024-12-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/29/24/5932 |
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| author | Gianmarco Gualtieri Emanuele Liborio Citriniti Roberta Rocca Valentina Arciuolo Jussara Amato Antonio Randazzo Stefano Alcaro |
| author_facet | Gianmarco Gualtieri Emanuele Liborio Citriniti Roberta Rocca Valentina Arciuolo Jussara Amato Antonio Randazzo Stefano Alcaro |
| author_sort | Gianmarco Gualtieri |
| collection | DOAJ |
| description | G-quadruplexes (G4s) are distinctive four-stranded nucleic acid structures formed by guanine-rich sequences, making them attractive targets for drug repurposing efforts. Modulating their stability and function holds promise for treating diseases like cancer. To identify potential drug candidates capable of interacting with these complex DNA formations, docking studies and molecular dynamics (MDs) simulations were conducted. Our analysis revealed kanamycin’s ability to bind to various G4 structures, offering valuable insights into its potential as a modulator of G4 activity. Kanamycin exhibited favorable interactions with both parallel and hybrid G4 topologies in human structures, suggesting a broader mechanism of action for aminoglycosides. These findings may also shed light on aminoglycoside-associated toxicities, indicating that their effects might extend to binding non-ribosomal RNA structures. In summary, this research highlights kanamycin’s potential as a promising tool for influencing G4 dynamics, paving the way for innovative therapeutic strategies targeting G4-related pathways. |
| format | Article |
| id | doaj-art-1330d191e0624daa8f86b199da5f9a50 |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-1330d191e0624daa8f86b199da5f9a502024-12-27T14:42:41ZengMDPI AGMolecules1420-30492024-12-012924593210.3390/molecules29245932Kanamycin and G-Quadruplexes: An Exploration of Binding InteractionsGianmarco Gualtieri0Emanuele Liborio Citriniti1Roberta Rocca2Valentina Arciuolo3Jussara Amato4Antonio Randazzo5Stefano Alcaro6Dipartimento di Scienze della Salute, Università “Magna Græcia” di Catanzaro, Viale Europa, 88100 Catanzaro, ItalyDipartimento di Scienze della Salute, Università “Magna Græcia” di Catanzaro, Viale Europa, 88100 Catanzaro, ItalyDipartimento di Scienze della Salute, Università “Magna Græcia” di Catanzaro, Viale Europa, 88100 Catanzaro, ItalyDepartment of Pharmacy, University of Naples Federico II, 80131 Naples, ItalyDepartment of Pharmacy, University of Naples Federico II, 80131 Naples, ItalyDepartment of Pharmacy, University of Naples Federico II, 80131 Naples, ItalyDipartimento di Scienze della Salute, Università “Magna Græcia” di Catanzaro, Viale Europa, 88100 Catanzaro, ItalyG-quadruplexes (G4s) are distinctive four-stranded nucleic acid structures formed by guanine-rich sequences, making them attractive targets for drug repurposing efforts. Modulating their stability and function holds promise for treating diseases like cancer. To identify potential drug candidates capable of interacting with these complex DNA formations, docking studies and molecular dynamics (MDs) simulations were conducted. Our analysis revealed kanamycin’s ability to bind to various G4 structures, offering valuable insights into its potential as a modulator of G4 activity. Kanamycin exhibited favorable interactions with both parallel and hybrid G4 topologies in human structures, suggesting a broader mechanism of action for aminoglycosides. These findings may also shed light on aminoglycoside-associated toxicities, indicating that their effects might extend to binding non-ribosomal RNA structures. In summary, this research highlights kanamycin’s potential as a promising tool for influencing G4 dynamics, paving the way for innovative therapeutic strategies targeting G4-related pathways.https://www.mdpi.com/1420-3049/29/24/5932G-quadruplexkanamycindrug repurposingdockingmolecular dynamics |
| spellingShingle | Gianmarco Gualtieri Emanuele Liborio Citriniti Roberta Rocca Valentina Arciuolo Jussara Amato Antonio Randazzo Stefano Alcaro Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions Molecules G-quadruplex kanamycin drug repurposing docking molecular dynamics |
| title | Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions |
| title_full | Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions |
| title_fullStr | Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions |
| title_full_unstemmed | Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions |
| title_short | Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions |
| title_sort | kanamycin and g quadruplexes an exploration of binding interactions |
| topic | G-quadruplex kanamycin drug repurposing docking molecular dynamics |
| url | https://www.mdpi.com/1420-3049/29/24/5932 |
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