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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 29, Number 1
BKCSDE 29(1)
January 20, 2008 

 
Title
Chemometric Studies on Brain-uptake of PET Agents via VolSurf Analysis
Author
Hyo Seon Lee, Mi Kyoung Kim, Chaewoon Lee, Jinyoung Kim, Il Han Choo, Jong Inn Woo, Youhoon Chong*
Keywords
PET, β-Amyloid, VolSurf, Brain-uptake, Rapid washout
Abstract
High initial (2 minutes after iv injection) brain-uptake of PET agents is required to deliver the agent to binding sites in brain tissue but, for quantification of the specific binding, relatively rapid washout of free and nonspecifically bound PET agents from the brain (30 minutes after injection) also is required. In order to compare the physicochemical properties of the PET agents which are responsible for early brain-uptake and rapid washout, respectively, chemometric analysis on brain-uptake of PET agents was performed via a classical VolSurf approach. According to the PCA and PLS results, high 2-30 min brain-uptake ratio seems to be related to the large hydrophobic regions in the PET agents which are not confined to a particular surface.
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