Towards a structural understanding of allosteric drugs at the human calcium-sensing receptor

[1]  Didier Rognan,et al.  Positive and Negative Allosteric Modulators of the Ca2+-sensing Receptor Interact within Overlapping but Not Identical Binding Sites in the Transmembrane Domain* , 2004, Journal of Biological Chemistry.

[2]  Vadim Cherezov,et al.  Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs , 2014, Nature Communications.

[3]  R. Stevens,et al.  The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist , 2008, Science.

[4]  E. Currier,et al.  Discovery of a class of calcium sensing receptor positive allosteric modulators; 1-(benzothiazol-2-yl)-1-phenylethanols. , 2010, Bioorganic & medicinal chemistry letters.

[5]  S. Morony,et al.  Discovery of a Calcimimetic with Differential Effects on Parathyroid Hormone and Calcitonin Secretion , 2011, Journal of Pharmacology and Experimental Therapeutics.

[6]  R. Abagyan,et al.  Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins. , 1994, Journal of molecular biology.

[7]  K. Seuwen,et al.  AXT914 a novel, orally-active parathyroid hormone-releasing drug in two early studies of healthy volunteers and postmenopausal women. , 2014, Bone.

[8]  N. Kunishima,et al.  Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+ , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[9]  B. Lee,et al.  The interpretation of protein structures: estimation of static accessibility. , 1971, Journal of molecular biology.

[10]  Peter Gedeck,et al.  FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists , 2015, J. Chem. Inf. Model..

[11]  R. Wolf,et al.  Homology Modeling of the Transmembrane Domain of the Human Calcium Sensing Receptor and Localization of an Allosteric Binding Site* , 2004, Journal of Biological Chemistry.

[12]  L. Fitzpatrick,et al.  Ronacaleret, a calcium-sensing receptor antagonist, has no significant effect on radial fracture healing time: results of a randomized, double-blinded, placebo-controlled Phase II clinical trial. , 2011, Bone.

[13]  A. Christopoulos.  Assessing the distribution of parameters in models of ligand-receptor interaction: to log or not to log. , 1998, Trends in pharmacological sciences.

[14]  E. Brown,et al.  The calcium-sensing receptor in human disease. , 2003, Frontiers in bioscience : a journal and virtual library.

[15]  S. Yano,et al.  Calcium-Sensing Receptor , 2003, Endocrine updates.

[16]  S. Nakanishi,et al.  Structural basis of glutamate recognition by a dimeric metabotropic glutamate receptor , 2000, Nature.

[17]  J. Wess,et al.  Activation and allosteric modulation of a muscarinic acetylcholine receptor , 2013, Nature.

[18]  J. Walsh,et al.  The role of the calcium-sensing receptor in human disease. , 2012, Clinical biochemistry.

[19]  D. Rognan,et al.  Modeling and Mutagenesis of the Binding Site of Calhex 231, a Novel Negative Allosteric Modulator of the Extracellular Ca2+-sensing Receptor* , 2003, Journal of Biological Chemistry.

[20]  D. McKinzie,et al.  Synthesis and pharmacological characterization of C4-disubstituted analogs of 1S,2S,5R,6S-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: identification of a potent, selective metabotropic glutamate receptor agonist and determination of agonist-bound human mGlu2 and mGlu3 amino terminal domain struct , 2015, Journal of medicinal chemistry.

[21]  E. Brown,et al.  Role of the calcium-sensing receptor in extracellular calcium homeostasis. , 2013, Best practice & research. Clinical endocrinology & metabolism.

[22]  P. Sexton,et al.  Engendering biased signalling from the calcium‐sensing receptor for the pharmacotherapy of diverse disorders , 2014, British journal of pharmacology.

[23]  Shailesh N Mistry,et al.  Biased allosteric modulation at the CaS receptor engendered by structurally diverse calcimimetics , 2015, British journal of pharmacology.

[24]  P. Sexton,et al.  Allosteric GPCR modulators: taking advantage of permissive receptor pharmacology. , 2007, Trends in pharmacological sciences.

[25]  P. Sexton,et al.  Identification of molecular phenotypes and biased signaling induced by naturally occurring mutations of the human calcium-sensing receptor. , 2012, Endocrinology.

[26]  Francine Acher,et al.  Heptahelical domain of metabotropic glutamate receptor 5 behaves like rhodopsin-like receptors , 2003, Proceedings of the National Academy of Sciences of the United States of America.

[27]  A. Conigrave,et al.  The Venus Fly Trap domain of the extracellular Ca2+ -sensing receptor is required for L-amino acid sensing. , 2004, The Journal of biological chemistry.

[28]  K. Jacobson,et al.  A Missense Mutation in the Seven-transmembrane Domain of the Human Ca2+ Receptor Converts a Negative Allosteric Modulator into a Positive Allosteric Modulator* , 2006, Journal of Biological Chemistry.

[29]  J. Gern,et al.  Calcium-Sensing Receptor Antagonists Abrogate Airway Hyperresponsiveness and Inflammation in Allergic Asthma , 2015, Pediatrics.

[30]  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 .

[31]  A. Doré,et al.  Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain , 2014, Nature.

[32]  P. Marie.  The calcium-sensing receptor in bone cells: a potential therapeutic target in osteoporosis. , 2010, Bone.

[33]  F. Locatelli,et al.  A randomized, double-blind, placebo-controlled study to assess the efficacy and safety of cinacalcet HCl in participants with CKD not receiving dialysis. , 2009, American journal of kidney diseases : the official journal of the National Kidney Foundation.

[34]  P. Jeffrey Conn,et al.  N-{4-Chloro-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-hydroxybenzamide (CPPHA) Acts through a Novel Site as a Positive Allosteric Modulator of Group 1 Metabotropic Glutamate Receptors , 2008, Molecular Pharmacology.

[35]  Xia Li,et al.  The vacuolar ATPase in bone cells: a potential therapeutic target in osteoporosis , 2010, Molecular Biology Reports.

[36]  Anton Barty,et al.  Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography , 2014, Nature Communications.

[37]  B. R. Smith,et al.  Antagonizing the parathyroid calcium receptor stimulates parathyroid hormone secretion and bone formation in osteopenic rats. , 2000, The Journal of clinical investigation.

[38]  K. Schmelzer,et al.  Characterization of Highly Efficacious Allosteric Agonists of the Human Calcium-Sensing Receptor , 2011, Journal of Pharmacology and Experimental Therapeutics.

[39]  Mayako Michino,et al.  Improved model building and assessment of the Calcium‐sensing receptor transmembrane domain , 2008, Proteins.

[40]  J. Giraldo,et al.  Overlapping binding sites drive allosteric agonism and positive cooperativity in type 4 metabotropic glutamate receptors , 2015, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

[41]  A. Christopoulos.  Advances in GPCR Allostery: From Function to Structure , 2014 .

[42]  P. Sexton,et al.  Impact of clinically relevant mutations on the pharmacoregulation and signaling bias of the calcium-sensing receptor by positive and negative allosteric modulators. , 2013, Endocrinology.

[43]  L. Widler.  Calcilytics: antagonists of the calcium-sensing receptor for the treatment of osteoporosis. , 2011, Future medicinal chemistry.

[44]  Benjamin G Tehan,et al.  Structure of Class B GPCRs: new horizons for drug discovery , 2014, British journal of pharmacology.

[45]  P. Sexton,et al.  Positive and negative allosteric modulators promote biased signaling at the calcium-sensing receptor. , 2012, Endocrinology.

[46]  K. Jacobson,et al.  Effects of a calcimimetic compound and naturally activating mutations on the human Ca2+ receptor and on Ca2+ receptor/metabotropic glutamate chimeric receptors. , 2000, Endocrinology.

[47]  J. Gleason,et al.  Calcilytic compounds: potent and selective Ca2+ receptor antagonists that stimulate secretion of parathyroid hormone. , 2001, The Journal of pharmacology and experimental therapeutics.

[48]  Ali Jazayeri,et al.  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, Journal of medicinal chemistry.

[49]  N. Jørgensen,et al.  Mechanisms for the bone anabolic effect of parathyroid hormone treatment in humans , 2012, Scandinavian journal of clinical and laboratory investigation.

[50]  J. Northup,et al.  Evidence for Distinct Cation and Calcimimetic Compound (NPS 568) Recognition Domains in the Transmembrane Regions of the Human Ca2+ Receptor* , 2002, The Journal of Biological Chemistry.

[51]  Takanori Muto,et al.  Structures of the extracellular regions of the group II/III metabotropic glutamate receptors , 2007, Proceedings of the National Academy of Sciences.

[52]  Arthur Christopoulos,et al.  Advances in G Protein-Coupled Receptor Allostery: From Function to Structure , 2014, Molecular Pharmacology.

[53]  P. Dauban,et al.  Calindol, a Positive Allosteric Modulator of the Human Ca2+ Receptor, Activates an Extracellular Ligand-binding Domain-deleted Rhodopsin-like Seven-transmembrane Structure in the Absence of Ca2+* , 2005, Journal of Biological Chemistry.

[54]  E. Brown,et al.  The calcium-sensing receptor (CaSR) defends against hypercalcemia independently of its regulation of parathyroid hormone secretion. , 2009, American journal of physiology. Endocrinology and metabolism.

[55]  M. Babu,et al.  Molecular signatures of G-protein-coupled receptors , 2013, Nature.

[56]  R. Dodd,et al.  Novel calcium sensing receptor ligands: a patent survey , 2011, Expert opinion on therapeutic patents.

[57]  M. Freichel,et al.  Expression of a calcium-sensing receptor in a human medullary thyroid carcinoma cell line and its contribution to calcitonin secretion. , 1996, Endocrinology.

[58]  Jens Meiler,et al.  Structure of a Class C GPCR Metabotropic Glutamate Receptor 1 Bound to an Allosteric Modulator , 2014, Science.

[59]  Arthur Christopoulos,et al.  Towards tissue-specific pharmacology: insights from the calcium-sensing receptor as a paradigm for GPCR (patho)physiological bias. , 2015, Trends in pharmacological sciences.

[60]  P. Houillier,et al.  PTH-independent regulation of blood calcium concentration by the calcium-sensing receptor. , 2012, The Journal of clinical investigation.

[61]  H. Genant,et al.  Ronacaleret, a calcium‐sensing receptor antagonist, increases trabecular but not cortical bone in postmenopausal women , 2012, Journal of bone and mineral research : the official journal of the American Society for Bone and Mineral Research.