Bambusuril as Effective Astatide Sequestrator Agent by Hydrogen Bonding

Abstract

Herein, we report a molecular-cage allowing strong chelation of the 211At radioanion. Propargylated bambus[6]uril shows good affinity towards iodide and astatide radiohalides, affording promising inclusion complexes that are stable in phosphate buffer saline and human serum. Density functional theory calculations support the presence of C-H- -At non-covalent cooperative interactions governing the formation of astatinated cage-complexes. To our knowledge, this work is the first to report 211At-labeling using encapsulation via hydrogen bonds, which opens new perspectives in the design of 211At- based radiopharmaceuticals.