Structure-Based Discovery of Negative Allosteric Modulators of the Metabotropic Glutamate Receptor 5
出版年份 2022 全文链接
标题
Structure-Based Discovery of Negative Allosteric Modulators of the Metabotropic Glutamate Receptor 5
作者
关键词
-
出版物
ACS Chemical Biology
Volume 17, Issue 10, Pages 2744-2752
出版商
American Chemical Society (ACS)
发表日期
2022-09-23
DOI
10.1021/acschembio.2c00234
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Property-Unmatched Decoys in Docking Benchmarks
- (2021) Reed M. Stein et al. Journal of Chemical Information and Modeling
- Agonists and allosteric modulators promote signaling from different metabotropic glutamate receptor 5 conformations
- (2021) Chady Nasrallah et al. Cell Reports
- A practical guide to large-scale docking
- (2021) Brian J. Bender et al. Nature Protocols
- Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?
- (2021) Flavio Ballante et al. PHARMACOLOGICAL REVIEWS
- Acetylene Group, Friend or Foe in Medicinal Chemistry
- (2020) Tanaji T. Talele JOURNAL OF MEDICINAL CHEMISTRY
- Impact of GPCR Structures on Drug Discovery
- (2020) Miles Congreve et al. CELL
- International Union of Basic and Clinical Pharmacology. CXI. Pharmacology, Signaling, and Physiology of Metabotropic Glutamate Receptors
- (2020) Karen J. Gregory et al. PHARMACOLOGICAL REVIEWS
- Structural insights into the activation of metabotropic glutamate receptors
- (2019) Antoine Koehl et al. NATURE
- Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5
- (2019) Claudia Llinas del Torrent et al. Journal of Chemical Information and Modeling
- Neuropharmacological Insight from Allosteric Modulation of mGlu Receptors
- (2019) Branden J. Stansley et al. TRENDS IN PHARMACOLOGICAL SCIENCES
- The role of water and protein flexibility in the structure-based virtual screening of allosteric GPCR modulators: an mGlu5 receptor case study
- (2019) Zoltán Orgován et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Fragment Based Optimization of Metabotropic Glutamate Receptor 2 (mGluR2) Positive Allosteric Modulators in the Absence of Structural Information
- (2018) György Szabó et al. JOURNAL OF MEDICINAL CHEMISTRY
- Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures
- (2018) John A. Christopher et al. JOURNAL OF MEDICINAL CHEMISTRY
- Structure-based discovery of selective positive allosteric modulators of antagonists for the M2muscarinic acetylcholine receptor
- (2018) Magdalena Korczynska et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Allosteric Modulation of Class A GPCRs: Targets, Agents, and Emerging Concepts
- (2018) Eric A. Wold et al. JOURNAL OF MEDICINAL CHEMISTRY
- Discovery and Preclinical Characterization of 3-((4-(4-Chlorophenyl)-7-fluoroquinoline-3-yl)sulfonyl)benzonitrile, a Novel Non-acetylenic Metabotropic Glutamate Receptor 5 (mGluR5) Negative Allosteric Modulator for Psychiatric Indications
- (2017) János Galambos et al. JOURNAL OF MEDICINAL CHEMISTRY
- Trends in GPCR drug discovery: new agents, targets and indications
- (2017) Alexander S. Hauser et al. NATURE REVIEWS DRUG DISCOVERY
- Metabotropic glutamate receptors and neurodegenerative diseases
- (2017) Fabiola M. Ribeiro et al. PHARMACOLOGICAL RESEARCH
- 4-Aryl-3-arylsulfonyl-quinolines as negative allosteric modulators of metabotropic GluR5 receptors: From HTS hit to development candidate
- (2016) János Galambos et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- The ChEMBL database in 2017
- (2016) Anna Gaulton et al. NUCLEIC ACIDS RESEARCH
- Targeting metabotropic glutamate receptors (mGluRs) in Parkinson's disease
- (2015) Marianne Amalric CURRENT OPINION IN PHARMACOLOGY
- ZINC 15 – Ligand Discovery for Everyone
- (2015) Teague Sterling et al. Journal of Chemical Information and Modeling
- Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile)
- (2015) John A. Christopher et al. JOURNAL OF MEDICINAL CHEMISTRY
- Generic GPCR residue numbers – aligning topology maps while minding the gaps
- (2015) Vignir Isberg et al. TRENDS IN PHARMACOLOGICAL SCIENCES
- AFQ056/mavoglurant, a novel clinically effective mGluR5 antagonist: Identification, SAR and pharmacological characterization
- (2014) Ivo Vranesic et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Hit-to-lead optimization
- (2014) Katalin Nógrádi et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Discovery and Preclinical Characterization of 1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1H-pyrazolo-[3,4-b]pyrazine (PF470): A Highly Potent, Selective, and Efficacious Metabotropic Glutamate Receptor 5 (mGluR5) Negative Allosteric Modulator
- (2014) Lei Zhang et al. JOURNAL OF MEDICINAL CHEMISTRY
- Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain
- (2014) Andrew S. Doré et al. NATURE
- The role of ligand efficiency metrics in drug discovery
- (2014) Andrew L. Hopkins et al. NATURE REVIEWS DRUG DISCOVERY
- Ligand Pose and Orientational Sampling in Molecular Docking
- (2013) Ryan G. Coleman et al. PLoS One
- ZINC: A Free Tool to Discover Chemistry for Biology
- (2012) John J. Irwin et al. Journal of Chemical Information and Modeling
- Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
- (2012) Michael M. Mysinger et al. JOURNAL OF MEDICINAL CHEMISTRY
- “Molecular Switches” on mGluR Allosteric Ligands That Modulate Modes of Pharmacology
- (2011) Michael R. Wood et al. BIOCHEMISTRY
- AFQ056, a new mGluR5 antagonist for treatment of fragile X syndrome
- (2011) Josien Levenga et al. NEUROBIOLOGY OF DISEASE
- Metabotropic Glutamate Receptors: Physiology, Pharmacology, and Disease
- (2010) Colleen M. Niswender et al. Annual Review of Pharmacology and Toxicology
- Hit-to-lead optimization of disubstituted oxadiazoles and tetrazoles as mGluR5 NAMs
- (2010) Gábor Wágner et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Carbamoyloximes as novel non-competitive mGlu5 receptor antagonists
- (2010) János Galambos et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Potential Psychiatric Applications of Metabotropic Glutamate Receptor Agonists and Antagonists
- (2010) John H. Krystal et al. CNS DRUGS
- Rapid Context-Dependent Ligand Desolvation in Molecular Docking
- (2010) Michael M. Mysinger et al. Journal of Chemical Information and Modeling
- Extended-Connectivity Fingerprints
- (2010) David Rogers et al. Journal of Chemical Information and Modeling
- New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
- (2010) Jonathan B. Baell et al. JOURNAL OF MEDICINAL CHEMISTRY
- Synthesis and SAR of novel, non-MPEP chemotype mGluR5 NAMs identified by functional HTS
- (2009) Ya Zhou et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype
- (2009) Alice L. Rodriguez et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Automated Docking Screens: A Feasibility Study
- (2009) John J. Irwin et al. JOURNAL OF MEDICINAL CHEMISTRY
- Ligand efficiency and fragment-based drug discovery
- (2008) Scott D. Bembenek et al. DRUG DISCOVERY TODAY
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