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1. WO2007139946 - GPCR LIGANDS IDENTIFIED BY COMPUTATIONAL MODELING

Publication Number WO/2007/139946
Publication Date 06.12.2007
International Application No. PCT/US2007/012514
International Filing Date 25.05.2007
IPC
G06F 19/00 2006.01
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
19Digital computing or data processing equipment or methods, specially adapted for specific applications
G01N 33/566 2006.01
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
33Investigating or analysing materials by specific methods not covered by groups G01N1/-G01N31/131
48Biological material, e.g. blood, urine; Haemocytometers
50Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
53Immunoassay; Biospecific binding assay; Materials therefor
566using specific carrier or receptor proteins as ligand binding reagent
C07D 487/00 2006.01
CCHEMISTRY; METALLURGY
07ORGANIC CHEMISTRY
DHETEROCYCLIC COMPOUNDS
487Heterocyclic compounds containing nitrogen atoms as the only ring hetero atoms in the condensed system, not provided for by groups C07D451/-C07D477/183
CPC
G16B 15/00
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
15ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
G16C 20/50
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
50Molecular design, e.g. of drugs
Applicants
  • UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION [US]/[US] (AllExceptUS)
  • THE UNIVERSITY OF MEMPHIS [US]/[US] (AllExceptUS)
  • PARRILL, Abby [US]/[US] (UsOnly)
  • TIGYI, Gabor [HU]/[US] (UsOnly)
  • PERYGIN, Donna [US]/[US] (UsOnly)
  • FELLS, James [US]/[US] (UsOnly)
Inventors
  • PARRILL, Abby
  • TIGYI, Gabor
  • PERYGIN, Donna
  • FELLS, James
Agents
  • RUSSELL, Donna
Priority Data
60/808,39825.05.2006US
Publication Language English (EN)
Filing Language English (EN)
Designated States
Title
(EN) GPCR LIGANDS IDENTIFIED BY COMPUTATIONAL MODELING
(FR) LIGANDS DE GPCR IDENTIFIÉS PAR MODÉLISATION INFORMATIQUE
Abstract
(EN)
Disclosed are pharmacophores for developing and screening compounds having G-protein-coupled receptor antagonist activity, including LPA1, LPA2, LPA3 and S1P antagonists. These compositions have therapeutic benefit in the fields of cancer chemotherapy, cardiovascular disease prevention, and protective agents during radiation and chemotherapy.
(FR)
L'invention concerne des pharmacophores destinés à élaborer et cribler des composés présentant une activité antagoniste des récepteurs couplés aux protéines G, tels que des antagonistes de LPA1, LPA2, LPA3 et S1P. Ces compositions sont thérapeutiquement utiles dans la chimiothérapie anticancéreuse, dans la prévention des maladies cardiovasculaires et comme agents protecteurs pendant une radiothérapie et une chimiothérapie.
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