DE69638114D1 - Verfahren zum entwurf einer physiologisch aktiven verbindung - Google Patents
Verfahren zum entwurf einer physiologisch aktiven verbindungInfo
- 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
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)
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)
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)
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 |
-
1996
- 1996-11-13 WO PCT/JP1996/003325 patent/WO1997018180A1/ja not_active Application Discontinuation
- 1996-11-13 KR KR1019980703589A patent/KR19990067566A/ko not_active Application Discontinuation
- 1996-11-13 AU AU75866/96A patent/AU7586696A/en not_active Abandoned
- 1996-11-13 DE DE69638114T patent/DE69638114D1/de not_active Expired - Lifetime
- 1996-11-13 JP JP51873797A patent/JP3928000B2/ja not_active Expired - Fee Related
- 1996-11-13 AT AT96938454T patent/ATE455083T1/de not_active IP Right Cessation
- 1996-11-13 EA EA199800453A patent/EA199800453A1/ru unknown
- 1996-11-13 EP EP96938454A patent/EP0976701B1/de not_active Expired - Lifetime
- 1996-11-13 CA CA002237872A patent/CA2237872A1/en not_active Abandoned
- 1996-11-13 CN CN96199615A patent/CN1207721A/zh active Pending
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
Date | Code | Title | Description |
---|---|---|---|
8364 | No opposition during term of opposition |