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https://hdl.handle.net/10316/115119
Título: | The photophysical, photobiological, and DNA/HSA-binding properties of corroles containing carbazole and phenothiazine moieties | Autor: | Rodrigues, Bruna Matiuzzi Oliveira, Diego Franca de Queiroz Garcia, Rafael de Chaves, Otávio Augusto Pizzi, Gabriela Faria Costa, Luiz Antônio Sodré Boni, Leonardo de Iglesias, Bernardo Almeida |
Palavras-chave: | Corroles; Photophysics; Photobiology; DNA-binding; HSA-binding | Data: | 2024 | Editora: | Elsevier | Projeto: | FCT PhD fellowship 2020.07504.BD | Título da revista, periódico, livro ou evento: | International Journal of Biological Macromolecules | Volume: | 268 | Resumo: | This study characterized four corrole derivatives, namely Cbz-Cor, MetCbz-Cor, PTz-Cor, and PTzEt-Cor, examining their photophysical, electrochemical, photobiological, and biomolecule-binding properties. Experimental photophysical data of absorption and emission elements correlated with a theoretical analysis obtained through time-dependent density functional theory (TD-DFT). As for the photophysical properties, we observed lower fluorescence quantum yields and discernible differences between the excited and ground states, as indi cated by Stokes shift values. Natural Transition Orbit (NTO) plots presented high occupied molecular orbital - low unoccupied molecular orbital (HOMO-LUMO) densities around the tetrapyrrolic macrocycle in all examples. Our findings demonstrate that corroles maintain stability in solution and offer photostability (<20 %), predominantly in DMSO(5 %)/Tris-HCl (pH 7.4) buffer solution. Furthermore, the singlet oxygen quantum yield and log POW values underscore their potential application in photoinactivation approaches, as these cor roles serve as effective ROS generators with more lipophilic features. We also evaluated their biomolecular binding capacity towards salmon sperm DNA and human serum albumin using spectroscopic techniques and molecular docking analysis for sustenance. Concerning biomolecule interaction profiles, the corrole derivatives showed a propensity for interacting in the minor grooves of the double helix DNA due to secondary forces, which were more pronounced in site III of the human serum protein. | URI: | https://hdl.handle.net/10316/115119 | ISSN: | 01418130 | DOI: | 10.1016/j.ijbiomac.2024.131861 | Direitos: | closedAccess |
Aparece nas coleções: | I&D CQC - Artigos em Revistas Internacionais |
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1-s2.0-S0141813024026667-main.pdf | 3.48 MB | Adobe PDF | Pedir uma cópia |
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