Muscarinic Receptors as Model Targets and Antitargets for Structure-Based Ligand Discovery
暂无分享,去创建一个
Peter Gmeiner | Dahlia R. Weiss | Brian K Shoichet | Andrew C Kruse | Dahlia R Weiss | J. Wess | B. Shoichet | A. Kruse | B. Kobilka | M. Rossi | P. Gmeiner | Jianxin Hu | Kelly Hu | K. Eitel | Jürgen Wess | Jianxin Hu | Brian K Kobilka | Mario Rossi | Kelly Hu | Katrin Eitel
[1] J. Wess,et al. Functional role in ligand binding and receptor activation of an asparagine residue present in the sixth transmembrane domain of all muscarinic acetylcholine receptors. , 1994, The Journal of biological chemistry.
[2] C. Lindsley,et al. Discovery and Characterization of Novel Allosteric Potentiators of M1 Muscarinic Receptors Reveals Multiple Modes of Activity , 2009, Molecular Pharmacology.
[3] B. Shoichet,et al. Hierarchical docking of databases of multiple ligand conformations. , 2005, Current topics in medicinal chemistry.
[4] J. Wess,et al. Beneficial metabolic effects caused by persistent activation of beta-cell M3 muscarinic acetylcholine receptors in transgenic mice. , 2010, Endocrinology.
[5] Albert C. Pan,et al. Structure and Dynamics of the M3 Muscarinic Acetylcholine Receptor , 2012, Nature.
[6] J. Wess,et al. RGS4 is a negative regulator of insulin release from pancreatic β-cells in vitro and in vivo , 2010, Proceedings of the National Academy of Sciences.
[7] Arthur Christopoulos,et al. Allosteric modulators of GPCRs: a novel approach for the treatment of CNS disorders , 2009, Nature Reviews Drug Discovery.
[8] A. IJzerman,et al. Allosteric modulation of G protein-coupled receptors. , 2001, Current opinion in drug discovery & development.
[9] Avner Schlessinger,et al. Ligand Discovery from a Dopamine D3 Receptor Homology Model and Crystal Structure , 2011, Nature chemical biology.
[10] Bo Li,et al. Rapid identification of functionally critical amino acids in a G protein–coupled receptor , 2007, Nature Methods.
[11] G. Klebe,et al. Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model. , 2004, Journal of medicinal chemistry.
[12] Brian K. Shoichet,et al. Rapid Context-Dependent Ligand Desolvation in Molecular Docking , 2010, J. Chem. Inf. Model..
[13] J. Ballesteros,et al. [19] Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein-coupled receptors , 1995 .
[14] Ruben Abagyan,et al. Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. , 2010, Journal of medicinal chemistry.
[15] J. Irwin,et al. ZINC ? A Free Database of Commercially Available Compounds for Virtual Screening. , 2005 .
[16] Ryan G. Coleman,et al. ZINC: A Free Tool to Discover Chemistry for Biology , 2012, J. Chem. Inf. Model..
[17] Sid Topiol,et al. Use of the X-ray structure of the Beta2-adrenergic receptor for drug discovery. , 2008, Bioorganic & medicinal chemistry letters.
[18] P. Willett,et al. Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures. , 2004, Organic & biomolecular chemistry.
[19] Matthias Rarey,et al. Protein Flexibility in Structure‐Based Virtual Screening: From Models to Algorithms , 2011 .
[20] Peter Kolb,et al. Limits of Ligand Selectivity from Docking to Models: In Silico Screening for A1 Adenosine Receptor Antagonists , 2012, PloS one.
[21] J. Miyazaki,et al. Pancreatic beta cell line MIN6 exhibits characteristics of glucose metabolism and glucose-stimulated insulin secretion similar to those of normal islets , 1993, Diabetologia.
[22] F. LaFerla,et al. M1 agonists as a potential disease-modifying therapy for Alzheimer's disease. , 2009, Current Alzheimer research.
[23] A. Kruse,et al. Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist , 2011, Nature.
[24] Arthur Christopoulos,et al. Orthosteric and Allosteric Modes of Interaction of Novel Selective Agonists of the M1 Muscarinic Acetylcholine Receptor , 2010, Molecular Pharmacology.
[25] John P. Overington,et al. ChEMBL: a large-scale bioactivity database for drug discovery , 2011, Nucleic Acids Res..
[26] R. Stevens,et al. Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor. , 2011, Journal of medicinal chemistry.
[27] Michael M. Mysinger,et al. Automated Docking Screens: A Feasibility Study , 2009, Journal of medicinal chemistry.
[28] Arthur Christopoulos,et al. Identification of Orthosteric and Allosteric Site Mutations in M2 Muscarinic Acetylcholine Receptors That Contribute to Ligand-selective Signaling Bias* , 2010, The Journal of Biological Chemistry.
[29] W. Messer. The utility of muscarinic agonists in the treatment of alzheimer’s disease , 2002, Journal of Molecular Neuroscience.
[30] C. Guenet,et al. Site-directed mutagenesis of the putative human muscarinic M2 receptor binding site. , 1999, European journal of pharmacology.
[31] Yvonne C. Martin,et al. Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping , 2008, J. Chem. Inf. Model..
[32] Jonathan A. Javitch,et al. Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening , 2013, J. Chem. Inf. Model..
[33] C. Lindsley,et al. Subtype-selective allosteric modulators of muscarinic receptors for the treatment of CNS disorders. , 2009, Trends in pharmacological sciences.
[34] A. Christopoulos,et al. Allosteric modulation of the muscarinic M4 receptor as an approach to treating schizophrenia , 2008, Proceedings of the National Academy of Sciences.
[35] Richard M. Eglen,et al. Muscarinic acetylcholine receptors: mutant mice provide new insights for drug development , 2007, Nature Reviews Drug Discovery.
[36] Maria F. Sassano,et al. Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor , 2013, ACS chemical biology.
[37] K. Jacobson,et al. Virtual screening leads to the discovery of novel non-nucleotide P2Y₁ receptor antagonists. , 2012, Bioorganic & medicinal chemistry.
[38] Michael M. Mysinger,et al. Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4 , 2012, Proceedings of the National Academy of Sciences.
[39] Peter Kolb,et al. Structure-based discovery of β2-adrenergic receptor ligands , 2009, Proceedings of the National Academy of Sciences.
[40] Nathan Robertson,et al. Article pubs.acs.org/jmc Identification of Novel Adenosine A 2A Receptor Antagonists by Virtual Screening , 2022 .
[41] U. Holzgrabe,et al. Rational design of dualsteric GPCR ligands: quests and promise , 2010, British journal of pharmacology.
[42] J. Wess,et al. Structural basis of receptor/G protein coupling selectivity studied with muscarinic receptors as model systems. , 1997, Life sciences.
[43] Kenneth Jones,et al. Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds. , 2008, Bioorganic & medicinal chemistry letters.
[44] Brian K. Shoichet,et al. Structure-Based Discovery of A2A Adenosine Receptor Ligands , 2010, Journal of medicinal chemistry.
[45] Jacob D. Durrant,et al. Computer-aided drug-discovery techniques that account for receptor flexibility. , 2010, Current opinion in pharmacology.
[46] R. Abagyan,et al. Flexible ligand docking to multiple receptor conformations: a practical alternative. , 2008, Current opinion in structural biology.
[47] Tong Liu,et al. Structural Basis of M3 Muscarinic Receptor Dimer/Oligomer Formation* , 2011, The Journal of Biological Chemistry.
[48] Brian K Shoichet,et al. Testing a flexible-receptor docking algorithm in a model binding site. , 2004, Journal of molecular biology.