AMINO ACID DERIVATIVE DESIGN USING COMPUTATIONAL CHEMISTRY AND APPLICATION TO PET TRACER

This study investigated positron emission tomography (PET) agents, which can be bind to Glutamate Transporter (GLT) from amino acid structures. The original amino acids passes through the transporter. Alternatively, focusing only on binding to GLT from the calculation results, the permeability of the blood-brain barrier (BBB) decreased. This study established the synthesis of the GLT imaging agent using an in silico binding assay and addressed the permeability of the BBB using lipid solubility and the molecular size of structural compounds.From the in silico binding assay, we derived the binding structure of GLT adding the conditions for BBB permeability and studied the labeling of PET tracers using 11C or 18F radioisotopes. Currently, this method can be applied to sequencing, label synthesis, and animal experiments.第57回ペプチド討論