title: Comparative analysis of the interaction of capecitabine and gefitinib with human serum albumin using (19)F nuclear magnetic resonance-based approach.
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 (19)F NMR, (1)H saturation transfer difference (STD) NMR, circular dichroism and docking simulations. Results showed that the two drugs interaction with human serum albumin caused (19)F 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 (19)F NMR approach in biomedical research was well illustrated in this case.
authors.affiliation: College of Chemical Engineering, Sichuan University, Chengdu 610065, China.
authors.forename: Di
authors.initials: D
authors.lastname: Wu
authors.affiliation: College of Chemical Engineering, Sichuan University, Chengdu 610065, China.
authors.forename: Jin
authors.initials: J
authors.lastname: Yan
authors.affiliation: Key Laboratory of Functional Polymer Materials of the Ministry of Education, Nankai University, Tianjin 30007, China.
authors.forename: Pingchuan
authors.initials: P
authors.lastname: Sun
authors.affiliation: College of Chemical Engineering, Sichuan University, Chengdu 610065, China.
authors.forename: Kailin
authors.initials: K
authors.lastname: Xu
authors.affiliation: College of Chemical Engineering, Sichuan University, Chengdu 610065, China.
authors.forename: Shanshan
authors.initials: S
authors.lastname: Li
authors.affiliation: College of Chemical Engineering, Sichuan University, Chengdu 610065, China.
authors.forename: Hongqi
authors.initials: H
authors.lastname: Yang
authors.affiliation: College of Chemical Engineering, Sichuan University, Chengdu 610065, China. Electronic address: lihuilab@sina.com.
authors.forename: Hui
authors.initials: H
authors.lastname: Li
mesh_terms: D001665:Binding Sites / Q000502:physiology; D000069287:Capecitabine / Q000032:analysis / Q000378:metabolism*; D066235:Fluorine-19 Magnetic Resonance Imaging / Q000379:methods*; D000077156:Gefitinib; D006801:Humans; D011485:Protein Binding / Q000502:physiology; D017433:Protein Structure, Secondary; D011799:Quinazolines / Q000032:analysis / Q000378:metabolism*; D012709:Serum Albumin / Q000032:analysis / Q000737:chemistry / Q000378:metabolism*
chemical_list: D011799:Quinazolines; D012709:Serum Albumin; D000069287:Capecitabine; D000077156:Gefitinib
keywords: (19)F-NMR; Bonding mechanism; Capecitabine; Gefitinib; Human serum albumin