EA199800610A1 - Способ создания физиологически активных соединений - Google Patents

Способ создания физиологически активных соединений

Info

Publication number
EA199800610A1
EA199800610A1 EA199800610A EA199800610A EA199800610A1 EA 199800610 A1 EA199800610 A1 EA 199800610A1 EA 199800610 A EA199800610 A EA 199800610A EA 199800610 A EA199800610 A EA 199800610A EA 199800610 A1 EA199800610 A1 EA 199800610A1
Authority
EA
Eurasian Patent Office
Prior art keywords
creating
active compounds
compounds
database
physiological active
Prior art date
Application number
EA199800610A
Other languages
English (en)
Inventor
Акико Итаи
Коити Судо
Original Assignee
Акико Итаи
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 Акико Итаи filed Critical Акико Итаи
Publication of EA199800610A1 publication Critical patent/EA199800610A1/ru

Links

Classifications

    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07B—GENERAL METHODS OF ORGANIC CHEMISTRY; APPARATUS THEREFOR
    • C07B61/00—Other general methods
    • 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
    • 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
    • G16C20/40—Searching chemical structures or physicochemical data
    • 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
    • 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
    • G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing

Landscapes

  • Chemical & Material Sciences (AREA)
  • Organic Chemistry (AREA)
  • Engineering & Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Theoretical Computer Science (AREA)
  • Computing Systems (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Medicinal Chemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Databases & Information Systems (AREA)
  • Genetics & Genomics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Software Systems (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • Biophysics (AREA)
  • Physics & Mathematics (AREA)
  • Molecular Biology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Heterocyclic Carbon Compounds Containing A Hetero Ring Having Oxygen Or Sulfur (AREA)

Abstract

Способ создания физиологически активных соединений, содержащий следующие стадии: (1) образование базы данных соединений, хранящей молекулярные структуры, перекрывающие все комбинации, по меньшей мере, одного сайта замещения, выбранного из замещаемых сайтов, присутствующих на основном молекулярном скелете, и используемых заместителей; и (2) извлечение из базы данных соединений молекулярных структур, удовлетворяющих требованиям проявления физиологической активности.Международная заявка была опубликована вместе с отчетом о международном поиске.
EA199800610A 1995-12-28 1998-07-27 Способ создания физиологически активных соединений EA199800610A1 (ru)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
JP34248895 1995-12-28
PCT/JP1996/003866 WO1997024301A1 (fr) 1995-12-28 1996-12-27 Procede de preparation d'un compose physiologiquement actif

Publications (1)

Publication Number Publication Date
EA199800610A1 true EA199800610A1 (ru) 1999-02-25

Family

ID=18354138

Family Applications (1)

Application Number Title Priority Date Filing Date
EA199800610A EA199800610A1 (ru) 1995-12-28 1998-07-27 Способ создания физиологически активных соединений

Country Status (5)

Country Link
EP (1) EP1010681A4 (ru)
CN (1) CN1209111A (ru)
AU (1) AU1152897A (ru)
EA (1) EA199800610A1 (ru)
WO (1) WO1997024301A1 (ru)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US4848394A (en) * 1986-05-13 1989-07-18 N B Marketing Company (Proprietary) Limited Gas cartridge
CN1150478C (zh) 1994-10-31 2004-05-19 板井昭子 从三维结构数据库检索新的配位化合物的方法
WO1999001409A1 (fr) * 1997-07-03 1999-01-14 Akiko Itai Procede de deduction des fonctions proteiques au moyen d'une base de donnees de ligands
AU2002214286A1 (en) * 2000-11-15 2002-05-27 Akiko Itai Method of profiling protein
EP1344761A4 (en) * 2000-11-30 2008-04-16 Toyo Suisan Kaisha METHOD FOR DESIGNING THE MOLECULAR STRUCTURE OF AN ENZYME INHIBITOR
WO2002062829A1 (fr) * 2001-02-02 2002-08-15 Chugai Seiyaku Kabushiki Kaisha Derives de peptide
JP4327583B2 (ja) * 2003-12-25 2009-09-09 富士通株式会社 生理活性物質候補構造創出プログラム、生理活性物質候補構造創出方法および生理活性物質候補構造創出装置
JP4829108B2 (ja) * 2004-04-23 2011-12-07 キッセイ薬品工業株式会社 リガンド分子の形状作成方法および装置
JP2006028038A (ja) * 2004-07-13 2006-02-02 Ishikawajima Harima Heavy Ind Co Ltd 高分子化合物の結合評価方法
CN113678205A (zh) * 2019-03-29 2021-11-19 富士胶片株式会社 特征量计算方法、特征量计算程序及特征量计算装置、筛选方法、筛选程序及筛选装置、化合物创建方法、化合物创建程序及化合物创建装置

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5642292A (en) * 1992-03-27 1997-06-24 Akiko Itai Methods for searching stable docking models of biopolymer-ligand molecule complex

Also Published As

Publication number Publication date
CN1209111A (zh) 1999-02-24
AU1152897A (en) 1997-07-28
EP1010681A1 (en) 2000-06-21
WO1997024301A1 (fr) 1997-07-10
EP1010681A4 (en) 2002-06-12

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