| Journal: | Brazilian Journal of Pharmaceutical Sciences |
| Database: | PERIÓDICA |
| System number: | 000451928 |
| ISSN: | 1984-8250 |
| Authors: | Baréa, Paula1 Barbosa, Valéria Aquilino1 Yamazaki, Diego Alberto dos Santos1 Gomes, Carla Maria Beraldi1 Novello, Claudio R2 Costa, Willian Ferreira da1 Gauze, Gisele de Freitas1 Sarragiotto, Maria Helena1 |
| Institutions: | 1Universidade Estadual de Maringa, Departamento de Quimica, Maringa, Parana. Brasil 2Universidade Federal Tecnologica do Parana, Departamento de Quimica e Biologia, Francisco Beltrao, Parana. Brasil |
| Year: | 2022 |
| Volumen: | 58 |
| Country: | Brasil |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Experimental, aplicado |
| English abstract | The β-carboline-1,3,5-triazine hydrochlorides 8-13 were evaluated in vitro against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). The analysed compounds were selective to BuChE, with IC50 values in the range from 1.0-18.8 µM being obtained. The N-{2-[(4,6-dihydrazinyl-1,3,5-triazin-2-yl)amino]ethyl}-1-phenyl-β-carboline-3-carboxamide (12) was the most potent compound and kinetic studies indicate that it acts as a competitive inhibitor of BuChE. Molecular docking studies show that 12 strongly interacts with the residues of His438 (residue of the catalytic triad) and Trp82 (residue of catalytic anionic site), confirming that this compound competes with the same binding site of the butyrylthiocholine |
| Disciplines: | Química |
| Keyword: | Bioquímica, Inhibidores enzimáticos, Beta-carbolina-1,3,5-triazina, Acetilcolinesterasa, Butirilcolinesterasa |
| Keyword: | Biochemistry, Enzyme inhibitors, Beta-carboline-1,3,5-triazine, Acetylcholinesterase, Butyrylcholinesterase |
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