期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 22, 期 36, 页码 12825-12838出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201601810
关键词
binding properties; drug delivery; EPR spectroscopy; spin-labeling; structure-activity relationships
资金
- Deutsche Forschungsgemeinschaft (DFG) [HI1094/5-1]
Drug binding to human serum albumin (HSA) has been characterized by a spin-labeling and continuous-wave (CW) EPR spectroscopic approach. Specifically, the contribution of functional groups (FGs) in a compound on its albumin-binding capabilities is quantitatively described. Molecules from different drug classes are labeled with EPR-active nitroxide radicals (spin-labeled pharmaceuticals (SLPs)) and in a screening approach CW-EPR spectroscopy is used to investigate HSA binding under physiological conditions and at varying ratios of SLP to protein. Spectral simulations of the CW-EPR spectra allow extraction of association constants (K-A) and the maximum number (n) of binding sites per protein. By comparison of data from 23 SLPs, the mechanisms of drug-protein association and the impact of chemical modifications at individual positions on drug uptake can be rationalized. Furthermore, new drug modifications with predictable protein binding tendency may be envisaged.
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