Journal:JBSD:26

Investigation on the Site-Selective Binding of Bovine Serum Albumin by Erlotinib Hydrochloride

Yan Liu, Mingmao Chen, Zhipu Luo, Jingjing Lin, Ling Song ^[1]

Molecular Tour
The binding mode of erlotinib hydrochloride (ET), a targeted anticancer drug, to bovine serum albumin (BSA) was investigated through 1H NMR, spectroscopic, thermodynamic and molecular modeling methods. Each subdomain is marked with a different colour (red for subdomain IA; orange, IB; cyan, IIA; yellow, IIB; green, IIIA; darkmagenta, IIIB). 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.