Abstract
The potential areas of applications of chemogenomic approaches are very large. Thanks to the large amount of knowledge accumulated during years of research, it is now possible to consider the binding of a ligand to a protein in a much larger context. This knowledge combined with the augmentation of computing capabilities allows global approaches to investigate biological and pharmaceutical problems. Classification of proteins, focused libraries, selectivity profiles and elaboration of new ligands for orphan receptors can all be investigated using chemogenomic. G protein-coupled receptors (GPCRs) constitute a large protein family of significant interest in pharmaceutical research. Despite this interest, and excluding the more than 360 nonolfatory proteins, the endogenous ligands of about 100 GPCRs have still not been identified. The main limitation of GPCRs investigation is the lack of 3D structures. The goal of this review is to present different chemogenomic approaches that can be applied to GPCRs. Three types of such approaches are presented: ligand centered, protein centered and protein-ligand centered approaches. For each of them, current limitations and biases are mentioned.
Keywords: Chemogenomic, computational chemistry, fingerprint, focus library, machine learning, gpcr, pharmacophore, augmentation, selectivity profiles and, G protein-coupled receptors, ligand centered, protein centered, protein-ligand centered approaches, biological assay, experimental binding assay
Current Topics in Medicinal Chemistry
Title: Chemogenomic Approaches for the Exploration of GPCR Space
Volume: 11 Issue: 15
Author(s): Nathanael Weill
Affiliation:
Keywords: Chemogenomic, computational chemistry, fingerprint, focus library, machine learning, gpcr, pharmacophore, augmentation, selectivity profiles and, G protein-coupled receptors, ligand centered, protein centered, protein-ligand centered approaches, biological assay, experimental binding assay
Abstract: The potential areas of applications of chemogenomic approaches are very large. Thanks to the large amount of knowledge accumulated during years of research, it is now possible to consider the binding of a ligand to a protein in a much larger context. This knowledge combined with the augmentation of computing capabilities allows global approaches to investigate biological and pharmaceutical problems. Classification of proteins, focused libraries, selectivity profiles and elaboration of new ligands for orphan receptors can all be investigated using chemogenomic. G protein-coupled receptors (GPCRs) constitute a large protein family of significant interest in pharmaceutical research. Despite this interest, and excluding the more than 360 nonolfatory proteins, the endogenous ligands of about 100 GPCRs have still not been identified. The main limitation of GPCRs investigation is the lack of 3D structures. The goal of this review is to present different chemogenomic approaches that can be applied to GPCRs. Three types of such approaches are presented: ligand centered, protein centered and protein-ligand centered approaches. For each of them, current limitations and biases are mentioned.
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Cite this article as:
Weill Nathanael, Chemogenomic Approaches for the Exploration of GPCR Space, Current Topics in Medicinal Chemistry 2011; 11 (15) . https://dx.doi.org/10.2174/156802611796391212
DOI https://dx.doi.org/10.2174/156802611796391212 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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