A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization |
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| Authors: | Eelke van der Horst Julio E Peironcely Adriaan P IJzerman Margot W Beukers Jonathan R Lane Herman WT van Vlijmen Michael TM Emmerich Yasushi Okuno Andreas Bender |
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| Institution: | (1) Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden University, Einsteinweg 55, 2333CC, The Netherlands;(2) Leiden Institute for Advanced Computer Science, University of Leiden, The Netherlands;(3) Department of PharmacoInformatics, Center for Integrative Education of Pharmacy Frontier, Graduate School of Pharmaceutical Sciences, Kyoto University, Kyoto, Japan;(4) Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK |
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| Abstract: | Background G protein-coupled receptors (GPCRs) represent a family of well-characterized drug targets with significant therapeutic value.
Phylogenetic classifications may help to understand the characteristics of individual GPCRs and their subtypes. Previous phylogenetic
classifications were all based on the sequences of receptors, adding only minor information about the ligand binding properties
of the receptors. In this work, we compare a sequence-based classification of receptors to a ligand-based classification of
the same group of receptors, and evaluate the potential to use sequence relatedness as a predictor for ligand interactions
thus aiding the quest for ligands of orphan receptors. |
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