Title:
METHOD FOR SCREENING OF 5HT7 RECEPTOR LIGANDS BASED ON A NEW PHARMACOPHORE MODEL AND A DESCRIPTOR'S PROFILE FILTER
Document Type and Number:
WIPO Patent Application WO/2010/012811
Kind Code:
A3
Abstract:
The present invention relates to compounds having pharmacological activity towards the 5-HT7 receptor; to a method for identifying them as 5-HT7 ligands, especially as agonists, by using a pharmacophore and a descriptor's profile filter; to pharmaceutical compositions comprising them; and to their use in therapy, in particular for the treatment and or prophylaxis of a disease in which 5-HT7 is involved, such as CNS disorders.
Inventors:
PASCUAL-RAMON ROSALIA (ES)
BUSCHMANN HELMUT H (ES)
BUSCHMANN HELMUT H (ES)
Application Number:
PCT/EP2009/059898
Publication Date:
June 03, 2010
Filing Date:
July 30, 2009
Export Citation:
Assignee:
ESTEVE LABOR DR (ES)
PASCUAL-RAMON ROSALIA (ES)
BUSCHMANN HELMUT H (ES)
PASCUAL-RAMON ROSALIA (ES)
BUSCHMANN HELMUT H (ES)
International Classes:
A61K31/4045; A61K31/439; A61K31/4439; A61K31/454; A61K31/495; A61K31/496; A61P43/00; G06F19/00; G06F19/16; G06F19/18
Foreign References:
| US3225052A | 1965-12-21 |
Other References:
PAILLET-LOILIER ET AL: "Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands", BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, PERGAMON, ELSEVIER SCIENCE, GB, vol. 15, no. 16, 15 August 2005 (2005-08-15), pages 3753 - 3757, XP005003399, ISSN: 0960-894X
VERMEULEN ERIK S ET AL: "Characterization of the 5-HT7 Receptor. Determination of the Pharmacophore for 5-HT7 Receptor Agonism and CoMFA-Based Modeling of the Agonist Binding Site", JOURNAL OF MEDICINAL CHEMISTRY, US AMERICAN CHEMICAL SOCIETY. WASHINGTON, vol. 46, no. 25, 1 January 2003 (2003-01-01), pages 5365 - 5374, XP002442675, ISSN: 0022-2623
LOPEZ-RODRIGUEZ MARIA L ET AL: "Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives.", JOURNAL OF MEDICINAL CHEMISTRY, vol. 46, no. 26, 18 December 2003 (2003-12-18), pages 5638 - 5650, XP002512927, ISSN: 0022-2623
BOJARSKI ANDRZEJ J: "Pharmacophore models for metabotropic 5-HT receptor ligands.", CURRENT TOPICS IN MEDICINAL CHEMISTRY 2006, vol. 6, no. 18, 2006, pages 2005 - 2026, XP002512928, ISSN: 1873-4294
PITTALÀ VALERIA ET AL: "5-HT7 receptor ligands: recent developments and potential therapeutic applications", MINI REVIEWS IN MEDICINAL CHEMISTRY, BENTHAM SCIENCE PUBLISHERS, HILVERSUM, NL, vol. 7, no. 9, 1 September 2007 (2007-09-01), pages 945 - 960, XP009091525, ISSN: 1389-5575
WOLBER GERHARD ET AL: "Molecule-pharmacophore superpositioning and pattern matching in computational drug design.", DRUG DISCOVERY TODAY JAN 2008, vol. 13, no. 1-2, January 2008 (2008-01-01), pages 23 - 29, XP002512929, ISSN: 1359-6446
LANGER T ET AL: "Pharmacophore definition and 3D searches", DRUG DISCOVERY TODAY: TECHNOLOGIES, ELSEVIER, vol. 1, no. 3, 1 December 2004 (2004-12-01), pages 203 - 207, XP004767954, ISSN: 1740-6749
TASLER ET AL: "Discovery of 5-HT6 receptor ligands based on virtual HTS", BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, PERGAMON, ELSEVIER SCIENCE, GB, vol. 17, no. 22, 12 October 2007 (2007-10-12), pages 6224 - 6229, XP022297132, ISSN: 0960-894X
GLENNON A R: "Higher-End Serotonin Receptors: 5-HT5, 5-HT6, 5-HT7", JOURNAL OF MEDICINAL CHEMISTRY, US AMERICAN CHEMICAL SOCIETY. WASHINGTON, vol. 46, no. 14, 11 June 2003 (2003-06-11), pages 2795 - 2812, XP002400626, ISSN: 0022-2623
WEBER, KAREN C. ET AL: "Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT1A receptor ligands", MEDICINAL CHEMISTRY , 4(4), 328-335 CODEN: MCEHAJ; ISSN: 1573-4064, July 2008 (2008-07-01), XP008121023
WEBER ET AL: "A chemometric study of the 5-HT1A receptor affinities presented by arylpiperazine compounds", EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, EDITIONS SCIENTIFIQUE ELSEVIER, PARIS, FR LNKD- DOI:10.1016/J.EJMECH.2007.03.036, vol. 43, no. 2, 1 February 2008 (2008-02-01), pages 364 - 372, XP022476814, ISSN: 0223-5234
MARTINEZ-ESPARZA JAVIER ET AL: "New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants", JOURNAL OF MEDICINAL CHEMISTRY, AMERICAN CHEMICAL SOCIETY, WASHINGTON, US LNKD- DOI:10.1021/JM001059J, vol. 44, no. 3, 1 January 2001 (2001-01-01), pages 418 - 428, XP002185417, ISSN: 0022-2623
CASTANER J ET AL: "Oxiperomide", DRUGS OF THE FUTURE 1978 ES, vol. 3, no. 10, 1978, pages 760 - 764, XP008121007, ISSN: 0377-8282
DATABASE CA [online] CHEMICAL ABSTRACTS SERVICE, COLUMBUS, OHIO, US; 22 April 2001 (2001-04-22), SUVOROV, N. N. ET AL: "Indole derivatives. XXII. Improved tryptamine synthesis", XP002576209, retrieved from STN Database accession no. 1964:432288
DATABASE CA [online] CHEMICAL ABSTRACTS SERVICE, COLUMBUS, OHIO, US; 12 May 1984 (1984-05-12), MIKHLINA, E. E. ET AL: "Synthesis and properties of (3-quinuclidinyl)diarylcarbinols", XP002576211, retrieved from STN Database accession no. 1976:559850
VERMEULEN ERIK S ET AL: "Characterization of the 5-HT7 Receptor. Determination of the Pharmacophore for 5-HT7 Receptor Agonism and CoMFA-Based Modeling of the Agonist Binding Site", JOURNAL OF MEDICINAL CHEMISTRY, US AMERICAN CHEMICAL SOCIETY. WASHINGTON, vol. 46, no. 25, 1 January 2003 (2003-01-01), pages 5365 - 5374, XP002442675, ISSN: 0022-2623
LOPEZ-RODRIGUEZ MARIA L ET AL: "Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives.", JOURNAL OF MEDICINAL CHEMISTRY, vol. 46, no. 26, 18 December 2003 (2003-12-18), pages 5638 - 5650, XP002512927, ISSN: 0022-2623
BOJARSKI ANDRZEJ J: "Pharmacophore models for metabotropic 5-HT receptor ligands.", CURRENT TOPICS IN MEDICINAL CHEMISTRY 2006, vol. 6, no. 18, 2006, pages 2005 - 2026, XP002512928, ISSN: 1873-4294
PITTALÀ VALERIA ET AL: "5-HT7 receptor ligands: recent developments and potential therapeutic applications", MINI REVIEWS IN MEDICINAL CHEMISTRY, BENTHAM SCIENCE PUBLISHERS, HILVERSUM, NL, vol. 7, no. 9, 1 September 2007 (2007-09-01), pages 945 - 960, XP009091525, ISSN: 1389-5575
WOLBER GERHARD ET AL: "Molecule-pharmacophore superpositioning and pattern matching in computational drug design.", DRUG DISCOVERY TODAY JAN 2008, vol. 13, no. 1-2, January 2008 (2008-01-01), pages 23 - 29, XP002512929, ISSN: 1359-6446
LANGER T ET AL: "Pharmacophore definition and 3D searches", DRUG DISCOVERY TODAY: TECHNOLOGIES, ELSEVIER, vol. 1, no. 3, 1 December 2004 (2004-12-01), pages 203 - 207, XP004767954, ISSN: 1740-6749
TASLER ET AL: "Discovery of 5-HT6 receptor ligands based on virtual HTS", BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, PERGAMON, ELSEVIER SCIENCE, GB, vol. 17, no. 22, 12 October 2007 (2007-10-12), pages 6224 - 6229, XP022297132, ISSN: 0960-894X
GLENNON A R: "Higher-End Serotonin Receptors: 5-HT5, 5-HT6, 5-HT7", JOURNAL OF MEDICINAL CHEMISTRY, US AMERICAN CHEMICAL SOCIETY. WASHINGTON, vol. 46, no. 14, 11 June 2003 (2003-06-11), pages 2795 - 2812, XP002400626, ISSN: 0022-2623
WEBER, KAREN C. ET AL: "Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT1A receptor ligands", MEDICINAL CHEMISTRY , 4(4), 328-335 CODEN: MCEHAJ; ISSN: 1573-4064, July 2008 (2008-07-01), XP008121023
WEBER ET AL: "A chemometric study of the 5-HT1A receptor affinities presented by arylpiperazine compounds", EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, EDITIONS SCIENTIFIQUE ELSEVIER, PARIS, FR LNKD- DOI:10.1016/J.EJMECH.2007.03.036, vol. 43, no. 2, 1 February 2008 (2008-02-01), pages 364 - 372, XP022476814, ISSN: 0223-5234
MARTINEZ-ESPARZA JAVIER ET AL: "New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants", JOURNAL OF MEDICINAL CHEMISTRY, AMERICAN CHEMICAL SOCIETY, WASHINGTON, US LNKD- DOI:10.1021/JM001059J, vol. 44, no. 3, 1 January 2001 (2001-01-01), pages 418 - 428, XP002185417, ISSN: 0022-2623
CASTANER J ET AL: "Oxiperomide", DRUGS OF THE FUTURE 1978 ES, vol. 3, no. 10, 1978, pages 760 - 764, XP008121007, ISSN: 0377-8282
DATABASE CA [online] CHEMICAL ABSTRACTS SERVICE, COLUMBUS, OHIO, US; 22 April 2001 (2001-04-22), SUVOROV, N. N. ET AL: "Indole derivatives. XXII. Improved tryptamine synthesis", XP002576209, retrieved from STN Database accession no. 1964:432288
DATABASE CA [online] CHEMICAL ABSTRACTS SERVICE, COLUMBUS, OHIO, US; 12 May 1984 (1984-05-12), MIKHLINA, E. E. ET AL: "Synthesis and properties of (3-quinuclidinyl)diarylcarbinols", XP002576211, retrieved from STN Database accession no. 1976:559850
Attorney, Agent or Firm:
CARPINTERO LOPEZ, Francisco (Alcala 35, Madrid, ES)
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