Literature DB >> 26826734

Computer-aided design of negative allosteric modulators of metabotropic glutamate receptor 5 (mGluR5): Comparative molecular field analysis of aryl ether derivatives.

Chelliah Selvam1, Ramasamy Thilagavathi2, Balasubramanian Narasimhan3, Pradeep Kumar4, Brian C Jordan5, Kasturi Ranganna5.   

Abstract

The metabotropic glutamate receptors (mGlu receptors) have emerged as attractive targets for number of neurological and psychiatric disorders. Recently, mGluR5 negative allosteric modulators (NAMs) have gained considerable attention in pharmacological research. Comparative molecular field analysis (CoMFA) was performed on 73 analogs of aryl ether which were reported as mGluR5 NAMs. The study produced a statistically significant model with high correlation coefficient and good predictive abilities. Published by Elsevier Ltd.

Entities:  

Keywords:  3-D QSAR; Aryl ethers; CoMFA; Negative allosteric modulators; mGluR5

Mesh：

Substances：

Year:  2016        PMID： 26826734      PMCID： PMC4836281          DOI： 10.1016/j.bmcl.2016.01.051

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  17 in total

1.  3-[(2-Methyl-1,3-thiazol-4-yl)ethynyl]-pyridine: a potent and highly selective metabotropic glutamate subtype 5 receptor antagonist with anxiolytic activity.

Authors:  Nicholas D P Cosford; Lida Tehrani; Jeffrey Roppe; Edwin Schweiger; Nicholas D Smith; Jeffrey Anderson; Linda Bristow; Jesse Brodkin; Xiaohui Jiang; Ian McDonald; Sara Rao; Mark Washburn; Mark A Varney
Journal:  J Med Chem       Date:  2003-01-16       Impact factor: 7.446

2.  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).

Authors:  John A Christopher; Sarah J Aves; Kirstie A Bennett; Andrew S Doré; James C Errey; Ali Jazayeri; Fiona H Marshall; Krzysztof Okrasa; Maria J Serrano-Vega; Benjamin G Tehan; Giselle R Wiggin; Miles Congreve
Journal:  J Med Chem       Date:  2015-08-12       Impact factor: 7.446

3.  Pharmacology of basimglurant (RO4917523, RG7090), a unique metabotropic glutamate receptor 5 negative allosteric modulator in clinical development for depression.

Authors:  Lothar Lindemann; Richard H Porter; Sebastian H Scharf; Basil Kuennecke; Andreas Bruns; Markus von Kienlin; Anthony C Harrison; Axel Paehler; Christoph Funk; Andreas Gloge; Manfred Schneider; Neil J Parrott; Liudmila Polonchuk; Urs Niederhauser; Stephen R Morairty; Thomas S Kilduff; Eric Vieira; Sabine Kolczewski; Juergen Wichmann; Thomas Hartung; Michael Honer; Edilio Borroni; Jean-Luc Moreau; Eric Prinssen; Will Spooren; Joseph G Wettstein; Georg Jaeschke
Journal:  J Pharmacol Exp Ther       Date:  2015-02-09       Impact factor: 4.030

Review 4.  Structures of mGluRs shed light on the challenges of drug development of allosteric modulators.

Authors:  Kirstie A Bennett; Andrew S Doré; John A Christopher; Dahlia R Weiss; Fiona H Marshall
Journal:  Curr Opin Pharmacol       Date:  2014-10-17       Impact factor: 5.547

5.  Metabotropic glutamate receptor 5 negative allosteric modulators: discovery of 2-chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (basimglurant, RO4917523), a promising novel medicine for psychiatric diseases.

Authors:  Georg Jaeschke; Sabine Kolczewski; Will Spooren; Eric Vieira; Nadia Bitter-Stoll; Patrick Boissin; Edilio Borroni; Bernd Büttelmann; Simona Ceccarelli; Nicole Clemann; Beatrice David; Christoph Funk; Wolfgang Guba; Anthony Harrison; Thomas Hartung; Michael Honer; Jörg Huwyler; Martin Kuratli; Urs Niederhauser; Axel Pähler; Jens-Uwe Peters; Ann Petersen; Eric Prinssen; Antonio Ricci; Daniel Rueher; Marianne Rueher; Manfred Schneider; Paul Spurr; Theodor Stoll; Daniel Tännler; Jürgen Wichmann; Richard H Porter; Joseph G Wettstein; Lothar Lindemann
Journal:  J Med Chem       Date:  2015-02-02       Impact factor: 7.446

6.  2-Methyl-6-(phenylethynyl)-pyridine (MPEP), a potent, selective and systemically active mGlu5 receptor antagonist.

Authors:  F Gasparini; K Lingenhöhl; N Stoehr; P J Flor; M Heinrich; I Vranesic; M Biollaz; H Allgeier; R Heckendorn; S Urwyler; M A Varney; E C Johnson; S D Hess; S P Rao; A I Sacaan; E M Santori; G Veliçelebi; R Kuhn
Journal:  Neuropharmacology       Date:  1999-10       Impact factor: 5.250

7.  Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.

Authors:  Andrew S Doré; Krzysztof Okrasa; Jayesh C Patel; Maria Serrano-Vega; Kirstie Bennett; Robert M Cooke; James C Errey; Ali Jazayeri; Samir Khan; Ben Tehan; Malcolm Weir; Giselle R Wiggin; Fiona H Marshall
Journal:  Nature       Date:  2014-07-06       Impact factor: 49.962

8.  Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Lead optimization.

Authors:  Katalin Nógrádi; Gábor Wágner; György Domány; Amrita Bobok; Ildikó Magdó; Sándor Kolok; Mónika L Mikó-Bakk; Mónika Vastag; Katalin Sághy; István Gyertyán; János Kóti; Krisztina Gál; Sándor Farkas; György M Keserű; István Greiner; Zsolt Szombathelyi
Journal:  Bioorg Med Chem Lett       Date:  2015-03-07       Impact factor: 2.823

Review 9.  Metabotropic glutamate receptor 5 as drug target for Fragile X syndrome.

Authors:  Sebastian H Scharf; Georg Jaeschke; Joseph G Wettstein; Lothar Lindemann
Journal:  Curr Opin Pharmacol       Date:  2014-12-02       Impact factor: 5.547

10.  Computer-aided design of non sulphonyl COX-2 inhibitors: an improved comparative molecular field analysis incorporating additional descriptors and comparative molecular similarity indices analysis of 1,3-diarylisoindole derivatives.

Authors:  Asit K Chakraborti; R Thilagavathi
Journal:  Bioorg Med Chem       Date:  2003-09-01       Impact factor: 3.641
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