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Heteroleptic (S^C)-cyclometallated gold(III) complexes as novel antiviral agents.

ABSTRACT: Despite the increasingly widespread clinical impact of adenovirus (HAdV) infections in healthy individuals and the associated high morbidity in immunosuppressed patients, particularly among the paediatric population, a specific treatment for this virus has yet to be developed. In this study, we report the anti-HAdV activity of sub-micromolar concentrations of four heteroleptic (C^S)-cycloaurated complexes bearing a single thiophosphinamide [Au(dpta)Cl₂, Au(dpta)(mrdtc), and Au(dpta)(dedtc)] or thiophosphonamide [Au(bpta)(dedtc)] chelating ligand and a dithiocarbamate moiety. In addition to their low cytotoxicity, the findings of mechanistic assays revealed that these molecules have antiviral activity by targeting stages of the viral replication cycle subsequent to DNA replication. Additionally, all four compounds showed a significant inhibition of human cytomegalovirus (HCMV) DNA replication, thereby providing evidence for potential broad-spectrum antiviral activity.

SUBMITTER: Balsera-Manzanero M

PROVIDER: S-EPMC10965532 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature

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Heteroleptic (S^C)-cyclometallated gold(III) complexes as novel antiviral agents.

Balsera-Manzanero María M Soengas Raquel G RG Carretero-Ledesma Marta M Ratia Carlos C Iglesias M José MJ Pachón Jerónimo J López-Ortiz Fernando F Cordero Elisa E Soto Sara M SM Sánchez-Céspedes Javier J

Heliyon 20240319 6

Despite the increasingly widespread clinical impact of adenovirus (HAdV) infections in healthy individuals and the associated high morbidity in immunosuppressed patients, particularly among the paediatric population, a specific treatment for this virus has yet to be developed. In this study, we report the anti-HAdV activity of sub-micromolar concentrations of four heteroleptic (C^S)-cycloaurated complexes bearing a single thiophosphinamide [Au(dpta)Cl2, Au(dpta)(mrdtc ...[more]

PMID: 38545219

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Project description:Iridium(III) complexes have assumed a prominent role in the areas of photochemistry and photophysics due to the peculiar properties of both the metal itself and the ligand environment that can be assembled around it. Ir(III) is larger, heavier, and bears a higher ionic charge than its analogue and widely used d6 ions such as Fe(II) and Ru(II). Accordingly, its complexes exhibit wider ligand-field d-d orbital splitting with electronic levels centered on the metal, typically nonemissive and photodissociative, not playing a relevant role in excited-state deactivations. In other words, iridium complexes are typically more stable and/or more emissive than Fe(II) and Ru(II) systems. Additionally, the particularly strong heavy-atom effect of iridium promotes singlet-triplet transitions, with characteristic absorption features in the UV-vis and relatively short excited-state lifetimes of emissive triplet levels. Ir(III) is also a platform for anchoring ligands of rather different sorts. Its versatile chemistry includes not only coordination with classic N∧N neutral ligands but also the binding of negatively charged chelators, typically having a cyclometalating C∧N anchor. The carbon-metal bond in these systems has some degree of covalent character, but this does not preclude a localized description of the excited states of the related complexes, which can be designated as metal-centered (MC), ligand-centered (LC), or charge transfer (CT), allowing a simplified description of electronic and photophysical properties. The possibility of binding different types of ligands and making heteroleptic complexes is a formidable tool for finely tuning the nature and energy of the lowest electronic excited state of cationic Ir(III) complexes by ligand design. Herein we give an account of our work on several families of iridium complexes typically equipped with two cyclometalating bidentate ligands (C∧N), in combination with mono or bidentate "ancillary" ligands with N∧N, C∧N, and C∧C motifs. We have explored new synthesis routes for both cyclometalating and ancillary ligands, obtaining primarily cationic complexes but also some neutral or even negatively charged systems. In the domain of the ancillary ligands, we have explored isocyanides, carbenes, mesoionic triazolylidenes, and bis-tetrazolic ligands. For the cyclometalating moiety, we have investigated carbene, mesoionic triazolylidene, and tetrazolic systems. Key results of our work include new strategies to modify both cyclometalating and ancillary ligands by relocating ionic charges, the determination of new factors affecting the stability of complexes, a demonstration of subtle structural effects that strongly modify the photophysical properties, new options to get blue-greenish emitters for optoelectronic devices, and a set of ligand modifications allowing the optimization of electrochemical and excited-state properties to obtain new promising Ir(III) complexes for photoredox catalysis. These results constitute a step forward in the preparation of custom iridium-based materials crafted by excited-state engineering, which is achieved through the concerted effort of computational and synthetic chemistry along with electrochemistry and photochemistry.

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Heteroleptic (S^C)-cyclometallated gold(III) complexes as novel antiviral agents.

Publications

Heteroleptic (S^C)-cyclometallated gold(III) complexes as novel antiviral agents.

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