Design, Synthesis And Biological Evaluation Of Noncovalent Inhibitors Of Human Cd38 Nadase
CHEMMEDCHEM(2012)
摘要
Shoot the messenger! CD38 is a multifunctional enzyme responsible for the generation of calcium ion messengers. A structural optimization was carried out to develop noncovalent CD38 inhibitors based on hit compound S125 (top) (IC50=86 μM). The best compound inhibited CD38 NADase with an IC50 value of 4.7 μM (bottom). Molecular modeling was used to predict potentially important interactions between the inhibitor and enzyme.
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关键词
calcium ion messengers,CD38,noncovalent inhibitors,structure-activity relationships
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