| Texto completo | |
| Autor(es): |
Yoguim, Mauricio Ikeda
;
Caires, Maiara Stefanini Borges
;
de Souza, Aguinaldo Robinson
;
Morgon, Nelson Henrique
;
Ximenes, Valdecir Farias
Número total de Autores: 5
|
| Tipo de documento: | Artigo Científico |
| Fonte: | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; v. 350, p. 10-pg., 2026-04-05. |
| Resumo | |
Rose Bengal (RB) is a xanthene dye used for decades as a photosensitizer to produce singlet oxygen. Serum albumin, the main protein dissolved in blood plasma, plays vital roles, including transporting poorly soluble drugs, with RB being one of these ligands. In this study, we investigated the interaction between bovine serum albumin (BSA) and RB and discovered that it induces axial chirality in RB. More importantly, two distinct induced circular dichroism (ICD) bands were observed, with their shapes and intensities varying depending on the binding site within BSA. This approach enabled us to differentiate ICD signals associated with high- and lowaffinity binding sites. By monitoring the quenching of the ICD band, we identified the high-affinity RB binding site as drug site 1 (DS1) on BSA. Conversely, the ICD band linked to low-affinity sites was associated with fatty acid-binding sites. Another key finding was that human serum albumin (HSA) did not produce an ICD signal at the lower-affinity sites. Using this property, we tracked the displacement of RB from BSA to HSA by observing the time-dependent loss of the ICD signal. The experimental results were supported by molecular docking studies, which showed that RB binds to multiple sites, with DS1 being the most favorable binding site. The ICD spectra for the RB conformations obtained from molecular docking were simulated using Density Functional Theory (DFT), revealing a correlation. These findings introduce new and potentially valuable spectroscopic methods for investigating albumin-ligand interactions. (AU) | |
| Processo FAPESP: | 24/16838-8 - Desenvolvimento de Aminoquinolinas Fluorescentes para Determinação de Mieloperoxidase |
| Beneficiário: | Maiara Stefanini Borges Caires |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |
| Processo FAPESP: | 24/00959-0 - Sondas Fluorescentes e Dicróicas: Estudo e Desenvolvimento de Metodologias Bioanalíticas |
| Beneficiário: | Valdecir Farias Ximenes |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |