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research article
Tuning and predicting biological affinity: aryl nitriles as cysteine protease inhibitors
A series of aryl nitrile-based ligands were prepd. to investigate the effect of their electrophilicity on the affinity against the cysteine proteases rhodesain and human cathepsin L. D. functional theory calcns. provided relative reactivities of the nitriles, enabling prediction of their biol. affinity and cytotoxicity and a clear structure-activity relationship.
Type
research article
Authors
Ehmke, Veronika
•
Quinsaat, Jose Enrico Q.
•
Rivera-Fuentes, Pablo
•
Heindl, Cornelia
•
Freymond, Celine
•
Rottmann, Matthias
•
Brun, Reto
•
Schirmeister, Tanja
•
Diederich, Francois
Publication date
2012
Published in
Volume
10
Start page
5764
End page
5768
Subjects
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 30, 2019
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