Synthesis of quercetin derivatives as cytotoxic against breast cancer MCF-7 cell line in vitro and in silico studies.
Future Med Chem
; 16(17): 1749-1759, 2024.
Article
en En
| MEDLINE
| ID: mdl-39101595
ABSTRACT
Background:
Quercetin being antioxidant and antiproliferative agent acts by inhibiting CDK2, with an increase in cancer prevalence there is a need to profile quercetin derivatives as CDK2 inhibitors.Materials &method:
Schiff bases of quercetin were synthesized as cytotoxic agents against the MCF7 cell line. FTIR, 1H-NMR and 13C-NMR, CHNS/O analysis were employed along with in vivo and in silico activities.Results &conclusion:
2q, 4q, 8q and 9q derivatives have maximum cytotoxic effect with IC50 values 39.7 ± 0.7, 36.65 ± 0.25, 35.49 ± 0.21 and 36.99 ± 0.45, respectively. Molecular docking also confirmed these results 8q has the highest binding potential of -9.165 KJ/mole making it a potent inhibitor of CDK2. These derivatives can be used as lead compounds as potent CDK2 inhibitors.
[Box see text].
Palabras clave
Texto completo:
1
Banco de datos:
MEDLINE
Asunto principal:
Quercetina
/
Neoplasias de la Mama
/
Proliferación Celular
/
Quinasa 2 Dependiente de la Ciclina
/
Simulación del Acoplamiento Molecular
/
Antineoplásicos
Límite:
Female
/
Humans
Idioma:
En
Revista:
Future Med Chem
Año:
2024
Tipo del documento:
Article
País de afiliación:
Pakistán