Abstract
Many efforts are currently being made to connect small molecules to target proteins by extracting pharmacological data from bibliographic sources and storing them in annotated chemical libraries. Here, small molecules are further connected to biological pathways, with particular focus to pathways involving members of the nuclear receptor family. The results bring to light the relative importance for molecules on gaining selectivity at the target level, when the target has an intrinsic promiscuity at the pathway level, and highlight the implications for drug discovery to address current challenges related to poor drug efficacy and toxicity. Details on the main limitations encountered during the molecule-to-target-to-pathway annotation process are also discussed.
Keywords: Wnt signaling pathway, retinoic X receptor, farnesoid X receptor, lipid metabolism, CYP7A1 inhibition
Current Topics in Medicinal Chemistry
Title: Connecting Small Molecules to Nuclear Receptor Pathways
Volume: 7 Issue: 15
Author(s): Kristina Hettne, Montserrat Cases, Scott Boyer and Jordi Mestres
Affiliation:
Keywords: Wnt signaling pathway, retinoic X receptor, farnesoid X receptor, lipid metabolism, CYP7A1 inhibition
Abstract: Many efforts are currently being made to connect small molecules to target proteins by extracting pharmacological data from bibliographic sources and storing them in annotated chemical libraries. Here, small molecules are further connected to biological pathways, with particular focus to pathways involving members of the nuclear receptor family. The results bring to light the relative importance for molecules on gaining selectivity at the target level, when the target has an intrinsic promiscuity at the pathway level, and highlight the implications for drug discovery to address current challenges related to poor drug efficacy and toxicity. Details on the main limitations encountered during the molecule-to-target-to-pathway annotation process are also discussed.
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Cite this article as:
Hettne Kristina, Cases Montserrat, Boyer Scott and Mestres Jordi, Connecting Small Molecules to Nuclear Receptor Pathways, Current Topics in Medicinal Chemistry 2007; 7 (15) . https://dx.doi.org/10.2174/156802607782194671
DOI https://dx.doi.org/10.2174/156802607782194671 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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