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A Simple Protocol To Estimate Differences in Protein Binding Affinity for Enantiomers without Prior Resolution of Racemates
Author(s) -
Fokkens Jasmine,
Klebe Gerhard
Publication year - 2006
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200502302
Subject(s) - enantiomer , isothermal titration calorimetry , resolution (logic) , chemistry , simple (philosophy) , protocol (science) , titration , stereochemistry , computer science , biochemistry , artificial intelligence , medicine , philosophy , alternative medicine , epistemology , pathology
Like hand in glove: A simple protocol that uses isothermal titration calorimetry to semiquantitatively determine the difference in binding affinity of two enantiomers to a protein without requiring prior resolution of the racemates has been developed. Affinity differences can been explained in terms of differences in the structural fit of the enantiomers into the binding pocket of the protein (see picture).