Abstract
Target-Related Affinity Profiling (TRAP*) is a computational drug discovery technology that is based on ‘affinity fingerprints’, which are molecular descriptors derived from the protein binding preferences of small molecules. The underlying concepts of TRAP are reviewed. Affinity fingerprints are compared to molecular descriptors derived from chemical structures and shown to be a useful alternative for lead discovery. The TRAP screening process is described and two example applications are presented: I. the discovery of novel inhibitors of human intestinal carboxylesterase, and II. the discovery of novel inhibitors of cyclooxygenase-1 through the use of the affinity fingerprints of known cyclooxygenase-1 inhibitors. A summary of the complementary advantages of TRAP screening technology compared to traditional approaches to drug lead discovery concludes the review.
Current Topics in Medicinal Chemistry
Title: Target-Related Affinity Profiling: Teliks Lead Discovery Technology
Volume: 5 Issue: 4
Author(s): Paul Beroza, Komath Damodaran and Robert T. Lum
Affiliation:
Abstract: Target-Related Affinity Profiling (TRAP*) is a computational drug discovery technology that is based on ‘affinity fingerprints’, which are molecular descriptors derived from the protein binding preferences of small molecules. The underlying concepts of TRAP are reviewed. Affinity fingerprints are compared to molecular descriptors derived from chemical structures and shown to be a useful alternative for lead discovery. The TRAP screening process is described and two example applications are presented: I. the discovery of novel inhibitors of human intestinal carboxylesterase, and II. the discovery of novel inhibitors of cyclooxygenase-1 through the use of the affinity fingerprints of known cyclooxygenase-1 inhibitors. A summary of the complementary advantages of TRAP screening technology compared to traditional approaches to drug lead discovery concludes the review.
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Cite this article as:
Beroza Paul, Damodaran Komath and Lum T. Robert, Target-Related Affinity Profiling: Teliks Lead Discovery Technology, Current Topics in Medicinal Chemistry 2005; 5 (4) . https://dx.doi.org/10.2174/1568026053828394
DOI https://dx.doi.org/10.2174/1568026053828394 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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