Silver binding dichotomy for 7-deazaadenine/thymineLópez-Chamorro, Carmen (Avtor) Pérez-Romero, Antonio (Avtor) Domínguez-Martín, Alicia (Avtor) Javornik, Uroš (Avtor) Palacios, Oscar (Avtor) Plavec, Janez (Avtor) Galindo, Miguel A. (Avtor) crystal structuregeneticsionssilversolution chemistryDNA strands modified with 7-deazaadenine (X) and 7-deazaguanine (Y) have shown promise in forming silver-DNA assemblies while maintaining canonical Watson–Crick base pairing, highlighting the compatibility of silver binding with standard DNA structures. However, critical questions remain regarding the binding preferences of AgI ions to sequences containing 7-deazapurine bases, particularly the prevalence of silver-modified Watson–Crick base pairs versus alternative homobase pair arrangements. To address this, we examined the binding of AgI to complementary X-T sequences, demonstrating a strong preference for canonical X-AgI-T pairing over homoleptic X-AgI-X or T-AgI-T pairs. Additionally, we report the discovery of a novel metallized DNA duplex featuring continuous X-AgI-X homobase pairs, whose structural analysis at the monomeric level, using model base 9-propyl-7-deazaadenine (pX) and AgI salts, reveals a unique silver-binding pattern through the Watson–Crick face. These findings not only advance our understanding of silver-mediated DNA architectures using 7-deazapurines but also provide a foundation for the rational design of sophisticated metal-DNA nanostructures with tailored properties, opening new avenues for the development of functional DNA-based materials.20252025-09-08 12:32:40Neznano23533UDK: 54ISSN pri članku: 1520-510XDOI: 10.1021/acs.inorgchem.5c01762COBISS_ID: 247846147sl© 2025 The Authors. Published by American Chemical Society