Saber UCV
Repositorio Institucional
Repositorio Institucional
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https://saber.ucv.ve/handle/10872/23241
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| Title: | Optimization of the synthesis, in silico ADME/ Tox profiling studies, and evaluation of the antimalarial activity of (7-chloroquinolin-4-ylthio) alkylbenzoate derivatives |
| Authors: | Gutiérrez, Joyce E Fernandez Moreira, Esteban Acosta, María E Ramírez, Hegira Charris, Jaime |
| Keywords: | 7-chloroquinoline ADME/Tox antimalarial sulfanyl β-hematin |
| Issue Date: | Jun-2023 |
| Publisher: | Journal of Chemical Research |
| Citation: | 1. Gutiérrez JE, Fernandez-Moreira E, Acosta ME, Ramírez H, Charris JE. Optimization of the synthesis, in silico ADME/Tox profiling studies, and evaluation of the antimalarial activity of (7-chloroquinolin-4-ylthio)alkylbenzoate derivatives. Journal of Chemical Research. 2023;47(3). doi:10.1177/17475198231175326 |
| Abstract: | Optimized reaction conditions are developed to obtain a series of [(7-chloroquinolin-4-yl)sulfanyl] alcohol derivatives as intermediates to prepare a range of (7-chloroquinolin-4-ylthio) alkylbenzoate derivatives. The structures of all the synthesized compounds are confirmed from their infrared and nuclear magnetic resonance spectral data, and by elemental analysis. In silico ADME/Tox profiling studies of the synthesized molecules are undertaken, and the potential antimalarial activity of the products is determined. In vitro, all the prepared compounds significantly reduce heme crystallization with IC50 values of < 10 μM. In vivo, the reduction in parasitemia levels and survival time increases are marginal. |
| URI: | http://hdl.handle.net/10872/23241 |
| ISSN: | 2047-6507 |
| Appears in Collections: | Artículos Publicados |
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