Gini Coefficient: A New Way To Express Selectivity of Kinase Inhibitors against a Family of Kinases

A novel application of the Gini coefficient for expressing selectivity of kinase inhibitors against a panel of kinases is proposed. This has been illustrated using single-point inhibition data for 40 commercially available kinase inhibitors screened against 85 kinases. Nonselective inhibitors are ch...

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Bibliographic Details
Published in:	Journal of medicinal chemistry Vol. 50; no. 23; pp. 5773 - 5779
Main Author:	Graczyk, Piotr P
Format:	Journal Article
Language:	English
Published:	Washington, DC American Chemical Society 15-11-2007
Subjects:	Adenosine Triphosphate - chemistry Biological and medical sciences Enzyme Inhibitors - chemistry Medical sciences Miscellaneous Pharmacology. Drug treatments Phosphotransferases - antagonists & inhibitors Phosphotransferases - chemistry Quantitative Structure-Activity Relationship Statistical analysis Enzyme Kinase Transferases Enzyme inhibitor Gini index Selectivity Biological activity
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Summary:	A novel application of the Gini coefficient for expressing selectivity of kinase inhibitors against a panel of kinases is proposed. This has been illustrated using single-point inhibition data for 40 commercially available kinase inhibitors screened against 85 kinases. Nonselective inhibitors are characterized by Gini values close to zero (Staurosporine, Gini 0.150). Highly selective compounds exhibit Gini values close to 1 (PD184352 Gini 0.905). The relative selectivity of inhibitors does not depend on the ATP concentration.
Bibliography:	ark:/67375/TPS-07RHFJBT-7 This work is dedicated to Professor Yoshito Kishi on the occasion of his 70th birthday. istex:568321BCB30BDEDBB0F0EAC6B9A4F1F15FB1AD02 ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0022-2623 1520-4804
DOI:	10.1021/jm070562u