Abstract
The recent success of the first FDA-approved small-molecule tyrosine kinase inhibitor Gleevec (STI-571, imatinib mesylate) in the treatment of chronic myelogenous leukemia (CML) has focused attention on the potential therapeutic usefulness of inhibitors of other kinase targets. This review shall highlight recent applications of computational chemistry methods, comprising both ligand-based and structure-based approaches, in the discovery and design of kinase inhibitors. In particular, we will focus on ATP-competitive inhibitors of selected kinase targets of therapeutic importance.
Keywords: kinase inhibitor, gleevec, imatinib mesylate, cml, chronic myelogenous leuremig, comfa, comsia
Current Pharmaceutical Design
Title: The Use of Computational Methods in the Discovery and Design of Kinase Inhibitors
Volume: 8 Issue: 17
Author(s): John R. Woolfrey and G. Scott Weston
Affiliation:
Keywords: kinase inhibitor, gleevec, imatinib mesylate, cml, chronic myelogenous leuremig, comfa, comsia
Abstract: The recent success of the first FDA-approved small-molecule tyrosine kinase inhibitor Gleevec (STI-571, imatinib mesylate) in the treatment of chronic myelogenous leukemia (CML) has focused attention on the potential therapeutic usefulness of inhibitors of other kinase targets. This review shall highlight recent applications of computational chemistry methods, comprising both ligand-based and structure-based approaches, in the discovery and design of kinase inhibitors. In particular, we will focus on ATP-competitive inhibitors of selected kinase targets of therapeutic importance.
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Cite this article as:
Woolfrey R. John and Weston Scott G., The Use of Computational Methods in the Discovery and Design of Kinase Inhibitors, Current Pharmaceutical Design 2002; 8 (17) . https://dx.doi.org/10.2174/1381612023394304
DOI https://dx.doi.org/10.2174/1381612023394304 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
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