DE69638114D1 - Verfahren zum entwurf einer physiologisch aktiven verbindung - Google Patents

Verfahren zum entwurf einer physiologisch aktiven verbindung

Info

Publication number
DE69638114D1
DE69638114D1 DE69638114T DE69638114T DE69638114D1 DE 69638114 D1 DE69638114 D1 DE 69638114D1 DE 69638114 T DE69638114 T DE 69638114T DE 69638114 T DE69638114 T DE 69638114T DE 69638114 D1 DE69638114 D1 DE 69638114D1
Authority
DE
Germany
Prior art keywords
binding
biopolymer
compounds
candidate compounds
design
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.)
Expired - Lifetime
Application number
DE69638114T
Other languages
English (en)
Inventor
Akiko Itai
Nobuo Tomioka
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.)
Institute of Medicinal Molecular Design Inc IMMD
Original Assignee
Institute of Medicinal Molecular Design Inc IMMD
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 Institute of Medicinal Molecular Design Inc IMMD filed Critical Institute of Medicinal Molecular Design Inc IMMD
Application granted granted Critical
Publication of DE69638114D1 publication Critical patent/DE69638114D1/de
Anticipated expiration legal-status Critical
Expired - Lifetime legal-status Critical Current

Links

Classifications

    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07B—GENERAL METHODS OF ORGANIC CHEMISTRY; APPARATUS THEREFOR
    • C07B61/00—Other general methods
    • 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

Landscapes

  • Chemical & Material Sciences (AREA)
  • Organic Chemistry (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Theoretical Computer Science (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Saccharide Compounds (AREA)
  • Compounds Of Unknown Constitution (AREA)
  • Pharmaceuticals Containing Other Organic And Inorganic Compounds (AREA)
  • Breeding Of Plants And Reproduction By Means Of Culturing (AREA)
  • Acyclic And Carbocyclic Compounds In Medicinal Compositions (AREA)
DE69638114T 1995-11-13 1996-11-13 Verfahren zum entwurf einer physiologisch aktiven verbindung Expired - Lifetime DE69638114D1 (de)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
JP29418995 1995-11-13
PCT/JP1996/003325 WO1997018180A1 (fr) 1995-11-13 1996-11-13 Procede de mise au point de compose physiologiquement actif

Publications (1)

Publication Number Publication Date
DE69638114D1 true DE69638114D1 (de) 2010-03-04

Family

ID=17804474

Family Applications (1)

Application Number Title Priority Date Filing Date
DE69638114T Expired - Lifetime DE69638114D1 (de) 1995-11-13 1996-11-13 Verfahren zum entwurf einer physiologisch aktiven verbindung

Country Status (10)

Country Link
EP (1) EP0976701B1 (de)
JP (1) JP3928000B2 (de)
KR (1) KR19990067566A (de)
CN (1) CN1207721A (de)
AT (1) ATE455083T1 (de)
AU (1) AU7586696A (de)
CA (1) CA2237872A1 (de)
DE (1) DE69638114D1 (de)
EA (1) EA199800453A1 (de)
WO (1) WO1997018180A1 (de)

Families Citing this family (12)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP1944708A1 (de) 1994-10-31 2008-07-16 ITAI, Akiko Verfahren zur Suche von neuen Ligandenverbidnungen in einer dreidimensional strukturierten Datenbank
US6549900B2 (en) 1995-12-28 2003-04-15 Akiko Itai Method for creating physiologically active compounds
AU7936698A (en) 1997-07-03 1999-01-25 Akiko Itai Method for inferring protein functions with the use of ligand data base
JP2000178209A (ja) * 1998-12-15 2000-06-27 Mitsubishi Chemicals Corp 分子設計装置及び方法並びに情報記憶媒体
US20040038429A1 (en) * 2000-11-14 2004-02-26 Shuichi Hirono 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
JP4377691B2 (ja) * 2001-10-31 2009-12-02 大日本住友製薬株式会社 スクリーニング方法とスクリーニングシステム及びスクリーニングプログラム
KR100456627B1 (ko) * 2002-12-10 2004-11-10 한국전자통신연구원 3차원 구조기반의 거대분자의 기능 예측 시스템 및 그 방법
WO2005103994A1 (ja) * 2004-04-23 2005-11-03 Kissei Pharmaceutical Co., Ltd. リガンド分子の形状作成方法および装置
CN102646171B (zh) * 2011-04-11 2014-12-10 闫京波 多维矩阵用于像药型化合物分子设计的应用及像药型化合物分子设计方法
JP5880170B2 (ja) * 2012-03-14 2016-03-08 富士通株式会社 生成方法、生成プログラム、および生成装置
CN112773798B (zh) * 2014-04-30 2024-03-29 宇凤·简·曾 作为d-氨基酸氧化酶抑制剂的已知化合物的用途

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
ATE199109T1 (de) 1992-03-27 2001-02-15 Akiko Itai Verfahren zur analyse der struktur von stabilen zusammengesetzten biopolymerligandmolekuelen

Also Published As

Publication number Publication date
ATE455083T1 (de) 2010-01-15
EP0976701A4 (de) 2006-04-05
EP0976701A1 (de) 2000-02-02
WO1997018180A1 (fr) 1997-05-22
JP3928000B2 (ja) 2007-06-13
AU7586696A (en) 1997-06-05
CN1207721A (zh) 1999-02-10
CA2237872A1 (en) 1997-05-22
EP0976701B1 (de) 2010-01-13
KR19990067566A (ko) 1999-08-25
EA199800453A1 (ru) 1998-10-29

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Legal Events

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