Artículos (Química Orgánica)

URI permanente para esta colecciónhttps://hdl.handle.net/11441/10924

Examinar

Examinando Artículos (Química Orgánica) por Materia "1-2-3-triazole"

Seleccione resultados tecleando las primeras letras
Mostrando 1 - 1 de 1
  • Miniatura
    Acceso AbiertoArtículo
    Assessing the Potential of 1,2,3-Triazole-Dihydropyrimidinone Hybrids Against Cholinesterases: In Silico, In Vitro, and In Vivo Studies
    (Multidisciplinary Digital Publishing Institute (MDPI), 2024-10-17) Gastalho, Carlos M.; Sena, Ana M.; López López, Óscar; Fernández-Bolaños Guzmán, José María; García-Sosa, Alfonso T.; Pereira, Florbela; Antunes, Célia M.; Costa, Ana R.; Burke, Anthony J.; Carreiro, Elisabete P.; Universidad de Sevilla. Departamento de Química orgánica; Fundação para a Ciência e a Tecnologia (FCT); Estonian Research Council; Ministerio de Ciencia e Innovación (MICIN). España
    Combining the pharmacological properties of the 1,2,3-triazole and dihydropyrimidinone classes of compounds, two small families of mono- and di(1,2,3-triazole)-dihydropyrimidinone hybrids, A and B, were previously synthesized. The main objective of this work was to investigate the potential anti-Alzheimer effects of these hybrids. The inhibitory activities of cholinesterases (AChE and BuChE), antioxidant activity, and the inhibitory mechanism through in silico (molecular docking) and in solution (STD-NMR) experiments were evaluated. The 1,2,3-triazole-dihydropyrimidinone hybrids (A and B) showed moderate in vitro inhibitory activity on eqBuChE (IC50 values between 1 and 58.4 μM). The best inhibitor was the hybrid B4, featuring two 1,2,3-triazole cores, which exhibited stronger inhibition than galantamine, with an IC50 of 1 ± 0.1 μM for eqBuChE, through a mixed inhibition mechanism. Among the hybrids A, the most promising inhibitor was A1, exhibiting an IC50 of 12 ± 2 µM, similar to that of galantamine. Molecular docking and STD-NMR experiments revealed the key binding interactions of these promising inhibitors with BuChE. Hybrids A and B did not display Artemia salina toxicity below 100 μM.