Comparative analysis of the interaction of capecitabine and gefitinib with human serum albumin using F-19 nuclear magnetic resonance-based approach

Wu, D (Wu, Di)^[ 1 ] ; Yan, J (Yan, Jin)^[ 1 ] ; Sun, PC (Sun, Pingchuan)^[ 2 ] ; Xu, KL (Xu, Kailin)^[ 1 ] ; Li, SS (Li, Shanshan)^[ 1 ] ; Yang, HQ (Yang, Hongqi)^[ 1 ]; Li, H (Li, Hui)^[ 1 ]

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2016, 129: 15-20

DOI: 10.1016/j.jpba.2016.06.034

 WOS:000393847600003

Abstract

Monitoring the interaction between drugs and proteins is critical to understanding drug transport and metabolism underlying pharmacodynamics. The binding capacities to human-serum albumin of two anticancer drugs, capecitabine and gefitinib, were compared via an approach combining F-19 NMR, H-1 saturation transfer difference (STD) NMR, circular dichroism and docking simulations. Results showed that the two drugs interaction with human serum albumin caused F-19 NMR signal shifted to different directions. Capecitabine had accurate binding site and higher binding affinity than gefitinib. This study provided fresh insights into ligand-protein interaction and the strength of F-19 NMR approach in biomedical researchWas well illustrated in this case. (C) 2016 Elsevier B.V. All rights reserved.