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- Volume 11, Issue 15, 2011
Current Topics in Medicinal Chemistry - Volume 11, Issue 15, 2011
Volume 11, Issue 15, 2011
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Editorial [Hot Topic: Methods for the Successful Application of Chemogenomics to GPCR Drug Design (Guest Editors: Stephen L. Garland & David E. Gloriam)]
Authors: Stephen L. Garland and David E. GloriamThe pharmaceutical industry has become highly efficient at synthesizing and testing very large numbers of drug-like molecules, typically through the application of automation in high-throughput screening and combinatorial chemistry. This has yielded something of a “data explosion”, as a result of which it can be challenging simply to manage and store the results, let alone analyze them in any detail. However, for drug disc Read More
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A Ligand's View of Target Similarity: Chemogenomic Binding Site- Directed Techniques for Drug Discovery
Authors: Stephen L. Garland and David E. GloriamGPCR binding site-directed techniques are rapidly evolving into powerful tools for modern drug discovery. Many of these approaches bridge chemistry and biology, which are inseparable concepts in nature but are often treated as separate worlds in drug discovery and science in general. This review shows with several examples how focusing on the binding site(s) has a clear advantage when it comes to establishing seque Read More
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Drug Design of GPCR Ligands Using Physicogenetics and Chemogenomics - Principles and Case Studies
Authors: Thomas M. Frimurer and Thomas HogbergAn efficient computational method for hit and lead identification is described. The method that incorporate ligand information from physicogenetically related 7TM receptors, i.e. receptors with similar physicochemical features in the ligand binding pockets, have been developed to aid the construction of pharmacophore queries for mining of vendor and in-house databases to produce small focused libraries for a Read More
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G Protein-Coupled Receptor Transmembrane Binding Pockets and their Applications in GPCR Research and Drug Discovery: A Survey
Authors: Nicole A. Kratochwil, Silvia Gatti-McArthur, Marius C. Hoener, Lothar Lindemann, Andreas D. Christ, Luke G. Green, Wolfgang Guba, Rainer E. Martin, Pari Malherbe, Richard H. P. Porter, Jay P. Slack, Marcel Winnig, Henrietta Dehmlow, Uwe Grether, Cornelia Hertel, Robert Narquizian, Constantinos G. Panousis, Sabine Kolczewski and Lucinda StewardG protein-coupled receptors (GPCRs) share a common architecture consisting of seven transmembrane (TM) domains. Various lines of evidence suggest that this fold provides a generic binding pocket within the TM region for hosting agonists, antagonists, and allosteric modulators. Hence, an automated method was developed that allows a fast analysis and comparison of these generic ligand binding pockets across the entire Read More
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Thematic Analysis™ : A Chemogenomic Approach to GPCR Drug Discovery
Authors: Roger Crossley, Jacqueline Anne Macritchie and Martin John SlaterThematic Analysis™ is a chemogenomic tool which has been developed and used to aid the process of GPCR drug discovery. This review covers the scientific rationale behind the development of this tool and provides examples of the successful application of the chemogenomic method in both hit finding and hit to lead stages of the drug discovery process.
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Chemogenomic Approaches for the Exploration of GPCR Space
More LessThe 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 o Read More
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Cross-Pharmacology Analysis of G Protein-Coupled Receptors
Authors: Ferran Brianso, Maria C. Carrascosa, Tudor I. Oprea and Jordi MestresThe degree of applicability of chemogenomic approaches to protein families depends on the accuracy and completeness of pharmacological data and the corresponding level of pharmacological similarity observed among their protein members. The recent public domain availability of pharmacological data for thousands of small molecules on 204 G protein- coupled receptors (GPCRs) provides a firm basis for an in-dept Read More
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Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space
Chemogenomic approaches, which link ligand chemistry to bioactivity against targets (and, by extension, to phenotypes) are becoming more and more important due to the increasing number of bioactivity data available both in proprietary databases as well as in the public domain. In this article we review chemogenomics approaches applied in four different domains: Firstly, due to the relationship between protein targets f Read More
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Quantitative Chemogenomics: Machine-Learning Models of Protein-Ligand Interaction
Authors: Claes R. Andersson, Mats G. Gustafsson and Helena StrombergssonChemogenomics is an emerging interdisciplinary field that lies in the interface of biology, chemistry, and informatics. Most of the currently used drugs are small molecules that interact with proteins. Understanding protein-ligand interaction is therefore central to drug discovery and design. In the subfield of chemogenomics known as proteochemometrics, protein-ligand-interaction models are induced from data matrices that c Read More
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Present Perspectives on the Automated Classification of the G-Protein Coupled Receptors (GPCRs) at the Protein Sequence Level
Authors: Matthew N. Davies, David E. Gloriam, Andrew Secker, Alex A. Freitas, Jon Timmis and Darren R. FlowerThe G-protein coupled receptors - or GPCRs - comprise simultaneously one of the largest and one of the most multi-functional protein families known to modern-day molecular bioscience. From a drug discovery and pharmaceutical industry perspective, the GPCRs constitute one of the most commercially and economically important groups of proteins known. The GPCRs undertake numerous vital metabolic functions and inter Read More
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Volumes & issues
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Volume 25 (2025)
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Volume 24 (2024)
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Volume 23 (2023)
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Volume 22 (2022)
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Volume 21 (2021)
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Volume 20 (2020)
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Volume 19 (2019)
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Volume 18 (2018)
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Volume 17 (2017)
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Volume 16 (2016)
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Volume 15 (2015)
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Volume 14 (2014)
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Volume 13 (2013)
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Volume 12 (2012)
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Volume 11 (2011)
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Volume 10 (2010)
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Volume 9 (2009)
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Volume 8 (2008)
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Volume 7 (2007)
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Volume 6 (2006)
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Volume 5 (2005)
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Volume 4 (2004)
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Volume 3 (2003)
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Volume 2 (2002)
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Volume 1 (2001)
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