Antitumor mechanism of Qinghaosu derivatives--molecular docking studies of Qinghaosu derivatives with transferrin / 药学学报
Acta Pharmaceutica Sinica
;
(12): 140-144, 2009.
Artículo
en Chino
| WPRIM
| ID: wpr-232583
ABSTRACT
To investigate the antitumor mechanism of artemisninin, a flexible docking analysis was used to score all kinds of functions of 11 Qinghaosu derivatives and transferrin with different resolutions. The distances of Asp-63, Tyr-188, His-249, Arg-124 and Lys-296 with Qinghaosu were less than 0.5 nm, separately. Meanwhile, the higher is the activity of Qinghaosu derivatives the higher is the score. Our model explains that Fe2+ is more feasible to react with Qinghaosu, and not involved in other metabolism in presence of transferrin. Docking results unveil that Iron(II)-transferrin increased the cytotoxicity of Qinghaosu derivatives and provide a rational basis for further design and synthesis of novel Qinghaosu derivatives.
Texto completo:
Disponible
Índice:
WPRIM (Pacífico Occidental)
Asunto principal:
Farmacología
/
Unión Proteica
/
Transferrina
/
Estructura Molecular
/
Química
/
Dominio Catalítico
/
Artemisininas
/
Descubrimiento de Drogas
/
Modelos Químicos
/
Antineoplásicos Fitogénicos
Tipo de estudio:
Estudio pronóstico
Idioma:
Chino
Revista:
Acta Pharmaceutica Sinica
Año:
2009
Tipo del documento:
Artículo
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