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 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.
Graczyk
Piotr P
PP
Eisai London Research Laboratories Ltd., Medicinal Chemistry Department, University College London, Bernard Katz Building, Gower Street, London WC1E 6BT, United Kingdom. piotr_graczyk@eisai.net
D000255:Adenosine Triphosphate / Q000737:chemistry; D004791:Enzyme Inhibitors / Q000737:chemistry*; D010770:Phosphotransferases / Q000037:antagonists & inhibitors* / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship
D004791:Enzyme Inhibitors; D000255:Adenosine Triphosphate; D010770:Phosphotransferases