Molecular docking of epidermal growth factor receptor tyramine kinase domain and its inhibitor genistein / 生物工程学报
Chinese Journal of Biotechnology
;
(12): 1813-1817, 2008.
Artigo
em Chinês
| WPRIM
| ID: wpr-275335
ABSTRACT
Genistein is a high specific and noncompetitive inhibitor of epidermal growth factor receptor tyramine kinase domain (EGFR-TK). In the paper, a molecular docking between genistein and EGFR-TK was studied to explore the mechanism of their interaction and antitumor mechanism of genistein by AUTODOCK 3.05 program. The results indicated that genistein located in the active cavity of EGFR-TK by high affinity (deltaG = -31.2 kJ/mol), and genistein inhibited EGFR-TK by interfering with forming of Lys721/Glu738 ion pair. The inhibition belonged to noncompetitive interaction, in which hydrophobic force and hydrogen bond played key roles.
Texto completo:
DisponíveL
Índice:
WPRIM (Pacífico Ocidental)
Assunto principal:
Farmacologia
/
Modelos Moleculares
/
Genisteína
/
Domínio Catalítico
/
Receptores ErbB
/
Metabolismo
Tipo de estudo:
Estudo prognóstico
Idioma:
Chinês
Revista:
Chinese Journal of Biotechnology
Ano de publicação:
2008
Tipo de documento:
Artigo
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