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WO2002044990A3 - Apparatus and method for determining affinity data between a target and a ligand - Google Patents

Apparatus and method for determining affinity data between a target and a ligand Download PDF

Info

Publication number
WO2002044990A3
WO2002044990A3 PCT/EP2001/014772 EP0114772W WO0244990A3 WO 2002044990 A3 WO2002044990 A3 WO 2002044990A3 EP 0114772 W EP0114772 W EP 0114772W WO 0244990 A3 WO0244990 A3 WO 0244990A3
Authority
WO
WIPO (PCT)
Prior art keywords
target
ligand
affinity
determining
affinity data
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Ceased
Application number
PCT/EP2001/014772
Other languages
French (fr)
Other versions
WO2002044990A2 (en
Inventor
Chalom Sayada
Philippe Halfon
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
CLAIRBIO CAPITAL MANAGEMENT
VALENTIN CAPITAL MANAGEMENT
CLAIRBIO CAPITAL MAN
VALENTIN CAPITAL MAN
Original Assignee
CLAIRBIO CAPITAL MANAGEMENT
VALENTIN CAPITAL MANAGEMENT
CLAIRBIO CAPITAL MAN
VALENTIN CAPITAL MAN
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Priority claimed from EP00403326A external-priority patent/EP1209610A1/en
Application filed by CLAIRBIO CAPITAL MANAGEMENT, VALENTIN CAPITAL MANAGEMENT, CLAIRBIO CAPITAL MAN, VALENTIN CAPITAL MAN filed Critical CLAIRBIO CAPITAL MANAGEMENT
Priority to AU2002231706A priority Critical patent/AU2002231706A1/en
Publication of WO2002044990A2 publication Critical patent/WO2002044990A2/en
Anticipated expiration legal-status Critical
Publication of WO2002044990A3 publication Critical patent/WO2002044990A3/en
Ceased legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/30—Detection of binding sites or motifs
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/50—Mutagenesis
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations

Landscapes

  • Physics & Mathematics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Engineering & Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Chemical & Material Sciences (AREA)
  • Biophysics (AREA)
  • Theoretical Computer Science (AREA)
  • General Health & Medical Sciences (AREA)
  • Medical Informatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Analytical Chemistry (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Molecular Biology (AREA)
  • Genetics & Genomics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)

Abstract

Apparatus for determining affinity data between a ligand and a target comprises calculator means (1) for receiving information representative of a target and of a ligand that might interact with the target at one of its receptor sites, and for determining an affinity value representative of the association energy between said target and the ligand on the basis of the received information, and comparator means (3) arranged to deliver data representative of an affinity level between the target and the ligand on the basis of the target/ligand affinity value and of a selected reference parameter.
PCT/EP2001/014772 2000-11-28 2001-11-28 Apparatus and method for determining affinity data between a target and a ligand Ceased WO2002044990A2 (en)

Priority Applications (1)

Application Number Priority Date Filing Date Title
AU2002231706A AU2002231706A1 (en) 2000-11-28 2001-11-28 Apparatus and method for determining affinity data between a target and a ligand

Applications Claiming Priority (4)

Application Number Priority Date Filing Date Title
US72331500A 2000-11-28 2000-11-28
US09/723,315 2000-11-28
EP00403326.2 2000-11-28
EP00403326A EP1209610A1 (en) 2000-11-28 2000-11-28 Method and apparatus for determining affinity data between a ligand and a target

Publications (2)

Publication Number Publication Date
WO2002044990A2 WO2002044990A2 (en) 2002-06-06
WO2002044990A3 true WO2002044990A3 (en) 2005-04-21

Family

ID=26073616

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/EP2001/014772 Ceased WO2002044990A2 (en) 2000-11-28 2001-11-28 Apparatus and method for determining affinity data between a target and a ligand

Country Status (2)

Country Link
AU (1) AU2002231706A1 (en)
WO (1) WO2002044990A2 (en)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CA2868827C (en) * 2012-04-24 2022-05-10 Laboratory Corporation Of America Holdings Methods and systems for identification of a protein binding site

Citations (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5587293A (en) * 1994-01-06 1996-12-24 Terrapin Technologies, Inc. Method to identify binding partners
WO1998054665A1 (en) * 1997-06-02 1998-12-03 The Johns Hopkins University Computer method utilizing free energy calculations for ligand design and the prediction of binding targets
WO1999006839A1 (en) * 1997-08-01 1999-02-11 Novalon Pharmaceutical Corporation Method of identifying and developing drug leads
WO2001036980A2 (en) * 1999-11-18 2001-05-25 Melacure Therapeutics Ab A process for identifying the active site in a biological target

Patent Citations (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5587293A (en) * 1994-01-06 1996-12-24 Terrapin Technologies, Inc. Method to identify binding partners
WO1998054665A1 (en) * 1997-06-02 1998-12-03 The Johns Hopkins University Computer method utilizing free energy calculations for ligand design and the prediction of binding targets
WO1999006839A1 (en) * 1997-08-01 1999-02-11 Novalon Pharmaceutical Corporation Method of identifying and developing drug leads
WO2001036980A2 (en) * 1999-11-18 2001-05-25 Melacure Therapeutics Ab A process for identifying the active site in a biological target

Also Published As

Publication number Publication date
WO2002044990A2 (en) 2002-06-06
AU2002231706A1 (en) 2002-06-11

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