EA001095B1 - Компьютерный способ создания химических структур, имеющих общие функциональные характеристики - Google Patents

Компьютерный способ создания химических структур, имеющих общие функциональные характеристики Download PDF

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Publication number
EA001095B1
EA001095B1 EA199800843A EA199800843A EA001095B1 EA 001095 B1 EA001095 B1 EA 001095B1 EA 199800843 A EA199800843 A EA 199800843A EA 199800843 A EA199800843 A EA 199800843A EA 001095 B1 EA001095 B1 EA 001095B1
Authority
EA
Eurasian Patent Office
Prior art keywords
affinity
receptor
genotype
target
molecular
Prior art date
Application number
EA199800843A
Other languages
English (en)
Russian (ru)
Other versions
EA199800843A1 (ru
Inventor
Джонатан М. Шмидт
Original Assignee
Юниверсити Оф Гуелф
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 Юниверсити Оф Гуелф filed Critical Юниверсити Оф Гуелф
Publication of EA199800843A1 publication Critical patent/EA199800843A1/ru
Publication of EA001095B1 publication Critical patent/EA001095B1/ru

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Classifications

    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K1/00—General methods for the preparation of peptides, i.e. processes for the organic chemical preparation of peptides or proteins of any length
    • 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
    • G16B15/00—ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] 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
    • G16B20/20—Allele or variant detection, e.g. single nucleotide polymorphism [SNP] detection
    • 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
    • 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
    • G16C20/50—Molecular design, e.g. of drugs
    • 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 [2D] or three-dimensional [3D] 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
    • G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations

Landscapes

  • Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Physics & Mathematics (AREA)
  • Chemical & Material Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Theoretical Computer Science (AREA)
  • Biophysics (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Molecular Biology (AREA)
  • Genetics & Genomics (AREA)
  • Analytical Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Organic Chemistry (AREA)
  • Computing Systems (AREA)
  • Biochemistry (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Saccharide Compounds (AREA)
EA199800843A 1996-03-22 1996-03-22 Компьютерный способ создания химических структур, имеющих общие функциональные характеристики EA001095B1 (ru)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
PCT/CA1996/000166 WO1997036252A1 (en) 1996-03-22 1996-03-22 Computational method for designing chemical structures having common functional characteristics

Publications (2)

Publication Number Publication Date
EA199800843A1 EA199800843A1 (ru) 1999-02-25
EA001095B1 true EA001095B1 (ru) 2000-10-30

Family

ID=4173144

Family Applications (1)

Application Number Title Priority Date Filing Date
EA199800843A EA001095B1 (ru) 1996-03-22 1996-03-22 Компьютерный способ создания химических структур, имеющих общие функциональные характеристики

Country Status (4)

Country Link
EP (1) EP0888591A1 (ja)
JP (1) JP2000507940A (ja)
EA (1) EA001095B1 (ja)
WO (1) WO1997036252A1 (ja)

Families Citing this family (9)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1998038208A2 (en) * 1997-02-28 1998-09-03 Bearsden Bio, Inc. Method of determining protein-ligand interactions via computer modeling
WO2002041184A1 (en) * 2000-11-14 2002-05-23 Kyorin Pharmaceutical Co., Ltd. Method of searching for novel lead compound
AU2001215557A1 (en) * 2000-11-30 2002-06-11 Toyo Suisan Kaisha, Ltd. Method of designing the molecular structure of inhibitor to enzyme
EP1535235A1 (en) * 2002-05-28 2005-06-01 The Trustees of The University of Pennsylvania Methods, systems, and computer program products for computational analysis and design of amphiphilic polymers
JP4572304B2 (ja) 2004-01-27 2010-11-04 独立行政法人情報通信研究機構 化学的遺伝プログラミング装置および化学的遺伝プログラミング方法
GB0518558D0 (en) * 2005-09-12 2005-10-19 Givaudan Sa Improvements in or related to organic compounds
US20180137256A1 (en) * 2016-11-16 2018-05-17 Paul MERRITHEW System and method of calculating the structure and properties of chemicals
JP7590697B2 (ja) 2019-08-19 2024-11-27 Jsr株式会社 化学構造発生装置、化学構造発生プログラム、及び化学構造発生方法
JP7619443B2 (ja) * 2021-04-20 2025-01-22 富士通株式会社 情報処理プログラム、情報処理方法および情報処理装置

Family Cites Families (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5025388A (en) * 1988-08-26 1991-06-18 Cramer Richard D Iii Comparative molecular field analysis (CoMFA)
US5434796A (en) * 1993-06-30 1995-07-18 Daylight Chemical Information Systems, Inc. Method and apparatus for designing molecules with desired properties by evolving successive populations

Also Published As

Publication number Publication date
EA199800843A1 (ru) 1999-02-25
AU712188B2 (en) 1999-10-28
JP2000507940A (ja) 2000-06-27
WO1997036252A1 (en) 1997-10-02
EP0888591A1 (en) 1999-01-07
AU4935096A (en) 1997-10-17

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Legal Events

Date Code Title Description
MM4A Lapse of a eurasian patent due to non-payment of renewal fees within the time limit in the following designated state(s)

Designated state(s): AM AZ BY KZ KG MD TJ TM RU