Journal:JBSD:26
From Proteopedia
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<b>Molecular Tour</b><br> | <b>Molecular Tour</b><br> | ||
| - | The binding mode of <scene name='Journal:JBSD:26/Cv/2'>erlotinib hydrochloride (ET)</scene>, a targeted anticancer drug, to <scene name='Journal:JBSD:26/Cv/5'>bovine serum albumin (BSA)</scene> was investigated through 1H NMR, spectroscopic, thermodynamic and molecular modeling methods. Each subdomain is marked with a different colour (<font color='red'><b>red for subdomain IA</b></font>; <span style="color:orange;background-color:black;font-weight:bold;">orange, IB</span>; <span style="color:dimgray;background-color:black;font-weight:bold;">grey, IIA</span>; <span style="color:yellow;background-color:black;font-weight:bold;">yellow, IIB</span>; <span style="color:lime;background-color:black;font-weight:bold;">green, IIIA</span>; <font color='darkmagenta'><b>darkmagenta, IIIB</b></font>). From these methods, the binding parameters, binding site, binding distance, and conformational changes were obtained. Site marker competitive experiments demonstrated that the binding site was located in the hydrophobic pocket of site I (subdomain IIA). The docking modeling agreed with the results of the fluorescence and displacement experiments. | + | The binding mode of <scene name='Journal:JBSD:26/Cv/2'>erlotinib hydrochloride (ET)</scene>, a targeted anticancer drug, to <scene name='Journal:JBSD:26/Cv/5'>bovine serum albumin (BSA)</scene> was investigated through 1H NMR, spectroscopic, thermodynamic and molecular modeling methods. Each subdomain is marked with a different colour (<font color='red'><b>red for subdomain IA</b></font>; <span style="color:orange;background-color:black;font-weight:bold;">orange, IB</span>; <span style="color:dimgray;background-color:black;font-weight:bold;">grey, IIA</span>; <span style="color:yellow;background-color:black;font-weight:bold;">yellow, IIB</span>; <span style="color:lime;background-color:black;font-weight:bold;">green, IIIA</span>; <font color='darkmagenta'><b>darkmagenta, IIIB</b></font>). From these methods, the binding parameters, binding site, binding distance, and conformational changes were obtained. Site marker competitive experiments demonstrated that the <scene name='Journal:JBSD:26/Cv/6'>binding site was located in the hydrophobic pocket of site I (subdomain IIA)</scene>. The docking modeling agreed with the results of the fluorescence and displacement experiments. |
</StructureSection> | </StructureSection> | ||
<references/> | <references/> | ||
__NOEDITSECTION__ | __NOEDITSECTION__ | ||
Revision as of 09:53, 3 September 2012
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- ↑ REF
This page complements a publication in scientific journals and is one of the Proteopedia's Interactive 3D Complement pages. For aditional details please see I3DC.
