Abstract
The study of protein target families, as opposed to single targets, has become a very powerful tool in chemogenomics-led drug discovery. By integrating comprehensive chemoinformatics and bioinformatics databases with customised analytical tools, a Toolkit approach for the target family is possible, thus allowing predictions of the ligand class, affinity, selectivity and likely off-target issues to be made for the guidance of the medicinal chemist. In this review, we highlight the development and application of the Toolkit approach to the protein kinase superfamily, drawing on examples from lead optimisation studies and the design of focused libraries for lead discovery.
Keywords: Chemogenomics, kinases, Toolkit, 2D-roadmap™, Kinome Similarity Analysis™, KSA, cyclin-dependent, CDK2, CDK4, p38
Current Medicinal Chemistry
Title: Bringing Kinases Into Focus: Efficient Drug Design Through the Use of Chemogenomic Toolkits
Volume: 13 Issue: 15
Author(s): Veronique Birault, C. J. Harris, Joelle Le, Mike Lipkin, Ravi Nerella and Adrian Stevens
Affiliation:
Keywords: Chemogenomics, kinases, Toolkit, 2D-roadmap™, Kinome Similarity Analysis™, KSA, cyclin-dependent, CDK2, CDK4, p38
Abstract: The study of protein target families, as opposed to single targets, has become a very powerful tool in chemogenomics-led drug discovery. By integrating comprehensive chemoinformatics and bioinformatics databases with customised analytical tools, a Toolkit approach for the target family is possible, thus allowing predictions of the ligand class, affinity, selectivity and likely off-target issues to be made for the guidance of the medicinal chemist. In this review, we highlight the development and application of the Toolkit approach to the protein kinase superfamily, drawing on examples from lead optimisation studies and the design of focused libraries for lead discovery.
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Cite this article as:
Birault Veronique, Harris J. C., Le Joelle, Lipkin Mike, Nerella Ravi and Stevens Adrian, Bringing Kinases Into Focus: Efficient Drug Design Through the Use of Chemogenomic Toolkits, Current Medicinal Chemistry 2006; 13 (15) . https://dx.doi.org/10.2174/092986706777452452
DOI https://dx.doi.org/10.2174/092986706777452452 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
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