ATE455083T1 - Verfahren zum entwurf einer physiologisch aktiven verbindung - Google Patents

Verfahren zum entwurf einer physiologisch aktiven verbindung

Info

Publication number
ATE455083T1
ATE455083T1 AT96938454T AT96938454T ATE455083T1 AT E455083 T1 ATE455083 T1 AT E455083T1 AT 96938454 T AT96938454 T AT 96938454T AT 96938454 T AT96938454 T AT 96938454T AT E455083 T1 ATE455083 T1 AT E455083T1
Authority
AT
Austria
Prior art keywords
binding
biopolymer
compounds
candidate compounds
designing
Prior art date
Application number
AT96938454T
Other languages
English (en)
Inventor
Akiko Itai
Nobuo Tomioka
Original Assignee
Akiko Itai
Inst Med Molecular Design Inc
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 Akiko Itai, Inst Med Molecular Design Inc filed Critical Akiko Itai
Application granted granted Critical
Publication of ATE455083T1 publication Critical patent/ATE455083T1/de

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)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (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)
  • Compounds Of Unknown Constitution (AREA)
  • Pharmaceuticals Containing Other Organic And Inorganic Compounds (AREA)
  • Acyclic And Carbocyclic Compounds In Medicinal Compositions (AREA)
  • Saccharide Compounds (AREA)
  • Breeding Of Plants And Reproduction By Means Of Culturing (AREA)
AT96938454T 1995-11-13 1996-11-13 Verfahren zum entwurf einer physiologisch aktiven verbindung ATE455083T1 (de)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
JP29418995 1995-11-13
PCT/JP1996/003325 WO1997018180A1 (en) 1995-11-13 1996-11-13 Design method of physiologically active compound

Publications (1)

Publication Number Publication Date
ATE455083T1 true ATE455083T1 (de) 2010-01-15

Family

ID=17804474

Family Applications (1)

Application Number Title Priority Date Filing Date
AT96938454T ATE455083T1 (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
JP3669704B2 (ja) 1994-10-31 2005-07-13 昭子 板井 三次元構造データベースから新規リガンド化合物を検索する方法
US6549900B2 (en) 1995-12-28 2003-04-15 Akiko Itai Method for creating physiologically active compounds
CA2294771A1 (en) 1997-07-03 1999-01-14 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
JPWO2002044112A1 (ja) * 2000-11-30 2004-04-02 東洋水産株式会社 酵素に対する阻害物質の分子構造を設計する方法
WO2003038672A1 (en) * 2001-10-31 2003-05-08 Sumitomo Pharmaceuticals Company, Limited Screening method, screening system and screening program
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
CA2946153C (en) * 2014-04-30 2022-06-14 Yufeng Jane Tseng Use of known compounds as d-amino acid oxidase inhibitors

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
EA199800453A1 (ru) 1998-10-29
EP0976701A1 (de) 2000-02-02
JP3928000B2 (ja) 2007-06-13
CN1207721A (zh) 1999-02-10
AU7586696A (en) 1997-06-05
CA2237872A1 (en) 1997-05-22
EP0976701B1 (de) 2010-01-13
EP0976701A4 (de) 2006-04-05
DE69638114D1 (de) 2010-03-04
KR19990067566A (ko) 1999-08-25
WO1997018180A1 (en) 1997-05-22

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