WO2002012889A3 - Focussing of compound libraries according to biological activities or properties - Google Patents

Focussing of compound libraries according to biological activities or properties Download PDF

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Publication number
WO2002012889A3
WO2002012889A3 PCT/EP2001/009137 EP0109137W WO0212889A3 WO 2002012889 A3 WO2002012889 A3 WO 2002012889A3 EP 0109137 W EP0109137 W EP 0109137W WO 0212889 A3 WO0212889 A3 WO 0212889A3
Authority
WO
WIPO (PCT)
Prior art keywords
focussing
properties
biological activities
compound libraries
libraries according
Prior art date
Application number
PCT/EP2001/009137
Other languages
French (fr)
Other versions
WO2002012889A2 (en
Inventor
Paul Wrede
Gisbert Schneider
Ulrich Rester
Li-Hsing Wang
Original Assignee
Callistogen Ag
Paul Wrede
Gisbert Schneider
Ulrich Rester
Li-Hsing Wang
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
Application filed by Callistogen Ag, Paul Wrede, Gisbert Schneider, Ulrich Rester, Li-Hsing Wang filed Critical Callistogen Ag
Priority to AU2001283990A priority Critical patent/AU2001283990A1/en
Publication of WO2002012889A2 publication Critical patent/WO2002012889A2/en
Publication of WO2002012889A3 publication Critical patent/WO2002012889A3/en

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
    • 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
    • G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G16C20/64—Screening of libraries

Abstract

The present invention relates to a method for generating a focussed compound library containing an enriched amount of ligand compounds being capable of binding to a predetermined receptor.
PCT/EP2001/009137 2000-08-08 2001-08-07 Focussing of compound libraries according to biological activities or properties WO2002012889A2 (en)

Priority Applications (1)

Application Number Priority Date Filing Date Title
AU2001283990A AU2001283990A1 (en) 2000-08-08 2001-08-07 Focussing of compound libraries according to biological activities or properties

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US63458600A 2000-08-08 2000-08-08
US09/634,586 2000-08-08

Publications (2)

Publication Number Publication Date
WO2002012889A2 WO2002012889A2 (en) 2002-02-14
WO2002012889A3 true WO2002012889A3 (en) 2004-10-28

Family

ID=24544406

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/EP2001/009137 WO2002012889A2 (en) 2000-08-08 2001-08-07 Focussing of compound libraries according to biological activities or properties

Country Status (2)

Country Link
AU (1) AU2001283990A1 (en)
WO (1) WO2002012889A2 (en)

Families Citing this family (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2005026720A1 (en) * 2003-09-04 2005-03-24 Parivid Llc Methods and apparatus for characterizing polymeric mixtures
KR101684742B1 (en) * 2014-11-27 2016-12-09 이화여자대학교 산학협력단 Method and system for drug virtual screening and construction of focused screening library
CN107862173B (en) * 2017-11-15 2021-04-27 南京邮电大学 Virtual screening method and device for lead compound

Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2000025106A2 (en) * 1998-10-28 2000-05-04 Glaxo Group Limited Pharmacophore fingerprinting in qsar and primary library design

Patent Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2000025106A2 (en) * 1998-10-28 2000-05-04 Glaxo Group Limited Pharmacophore fingerprinting in qsar and primary library design

Non-Patent Citations (2)

* Cited by examiner, † Cited by third party
Title
MASON J S: "Computational screening: large-scale drug discovery", IMMUNOLOGY TODAY, ELSEVIER PUBLICATIONS, CAMBRIDGE, GB, vol. 1999, September 1999 (1999-09-01), pages 34 - 36, XP004176634, ISSN: 0167-5699 *
MASON JONATHAN S ET AL: "New 4-point pharmacophore method for molecular similarity and diversity applications: Overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures", JOURNAL OF MEDICINAL CHEMISTRY, AMERICAN CHEMICAL SOCIETY. WASHINGTON, US, vol. 42, no. 17, 26 August 1999 (1999-08-26), pages 3251 - 3264, XP002234658, ISSN: 0022-2623 *

Also Published As

Publication number Publication date
AU2001283990A1 (en) 2002-02-18
WO2002012889A2 (en) 2002-02-14

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