Antitumor mechanism of Qinghaosu derivatives--molecular docking studies of Qinghaosu derivatives with transferrin / 药学学报
Acta Pharmaceutica Sinica
; (12): 140-144, 2009.
Article
em Zh
| WPRIM
| ID: wpr-232583
Biblioteca responsável:
WPRO
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:
1
Índice:
WPRIM
Assunto principal:
Farmacologia
/
Ligação Proteica
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Transferrina
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Estrutura Molecular
/
Química
/
Domínio Catalítico
/
Artemisininas
/
Descoberta de Drogas
/
Modelos Químicos
/
Antineoplásicos Fitogênicos
Tipo de estudo:
Prognostic_studies
Idioma:
Zh
Revista:
Acta Pharmaceutica Sinica
Ano de publicação:
2009
Tipo de documento:
Article