EA199800843A1 - Компьютерный способ создания химических структур, имеющих общие функциональные характеристики - Google Patents
Компьютерный способ создания химических структур, имеющих общие функциональные характеристикиInfo
- Publication number
- EA199800843A1 EA199800843A1 EA199800843A EA199800843A EA199800843A1 EA 199800843 A1 EA199800843 A1 EA 199800843A1 EA 199800843 A EA199800843 A EA 199800843A EA 199800843 A EA199800843 A EA 199800843A EA 199800843 A1 EA199800843 A1 EA 199800843A1
- Authority
- EA
- Eurasian Patent Office
- Prior art keywords
- receptors
- chemical structures
- modeled
- functional characteristics
- computer method
- Prior art date
Links
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 or three-dimensional 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 or three-dimensional 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)
Abstract
Данное изобретение относится к компьютерным методам создания химических структур, обладающих общими полезными функциональными свойствами, основанными на специфических комбинациях пространственной конфигурации и сродстве к связыванию. Более конкретно, данное изобретение предусматривает метод получения моделированных при помощи компьютера рецепторов, которые функционально имитируют биологические рецепторы. Создаются моделированные рецепторы, проявляющие оптимизированное селективное сродство к молекулам известных мишеней. Затем генерируются и выделяются химические структуры, проявляющие селективное сродство к моделированным рецепторам.Международная заявка была опубликована вместе с отчетом о международном поиске.
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 true EA199800843A1 (ru) | 1999-02-25 |
EA001095B1 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 (ru) |
JP (1) | JP2000507940A (ru) |
EA (1) | EA001095B1 (ru) |
WO (1) | WO1997036252A1 (ru) |
Families Citing this family (7)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
EP1002288A2 (en) * | 1997-02-28 | 2000-05-24 | Bearsden Bio, Inc. | Method of determining protein-ligand interactions via computer modeling |
WO2002041184A1 (fr) * | 2000-11-14 | 2002-05-23 | Kyorin Pharmaceutical Co., Ltd. | Procede de recherche d'un nouveau compose tete de serie |
WO2002044112A1 (fr) * | 2000-11-30 | 2002-06-06 | Toyo Suisan Kaisha, Ltd | Procede de conception de la structure moleculaire d'un inhibiteur d'enzyme |
AU2003231879A1 (en) * | 2002-05-28 | 2003-12-12 | 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 |
Family Cites Families (2)
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 |
-
1996
- 1996-03-22 JP JP09533880A patent/JP2000507940A/ja active Pending
- 1996-03-22 WO PCT/CA1996/000166 patent/WO1997036252A1/en not_active Application Discontinuation
- 1996-03-22 EA EA199800843A patent/EA001095B1/ru not_active IP Right Cessation
- 1996-03-22 EP EP96905638A patent/EP0888591A1/en not_active Withdrawn
Also Published As
Publication number | Publication date |
---|---|
JP2000507940A (ja) | 2000-06-27 |
EP0888591A1 (en) | 1999-01-07 |
WO1997036252A1 (en) | 1997-10-02 |
EA001095B1 (ru) | 2000-10-30 |
AU4935096A (en) | 1997-10-17 |
AU712188B2 (en) | 1999-10-28 |
Similar Documents
Publication | Publication Date | Title |
---|---|---|
ATE222116T1 (de) | Verfahren zur identifizierung und isolierung von einem molekül und von diesem erkannte moleküle | |
CR6538A (es) | Anticuerpos de humano, anti-avb3 recombinantes, acidos nucleicos que codifican a los mismos y metodo de uso | |
ATE420953T1 (de) | Bibliotheken von humanen antikörper-polypeptiden | |
NO20011513D0 (no) | Reseptor-baserte antagonister samt fremgangsmÕte ved fremstilling og anvendelse derav | |
EA200001200A1 (ru) | Альгинатные гели с поддерживаемым высвобождением, подвергающиеся биологической деградации | |
CY1112101T1 (el) | Νευροτροφικοι παραγοντες | |
ATE267394T1 (de) | Nachweis der krankheitsbedingten konformation eines proteins | |
DK0943097T3 (da) | Fremgangsmåde til at påvise IgE | |
ATE397251T1 (de) | Verfahren für das entwerfen von kleinen erythropoietin mimetika | |
DK0529065T3 (da) | Receptorbaserede fremgangsmåder til screening for amylinagonister og -antagonister | |
EA200300362A1 (ru) | Способ генерирования молекулярно-функциональной сети | |
DE60041452D1 (de) | CpG REZEPTOR (CpG-R) UND DARAUF BEZOGENE METHODEN | |
EA199800843A1 (ru) | Компьютерный способ создания химических структур, имеющих общие функциональные характеристики | |
DE69738454D1 (de) | Oligonukleotide welche spezifisch retrovirale nukleokapsid-proteine binden | |
ATE186575T1 (de) | Verfahren zur identifizierung von menschlichen und tierischen zellen mit der fähigkeit zu unbegrenzter proliferation oder zur tumorbildung | |
DE59813433D1 (de) | Aufreinigung von substanzen aus einer biologischen probe | |
ATE288589T1 (de) | Verfahren zur analyse von proteinen | |
DK1007666T3 (da) | Neurturinreceptor | |
WO2001050127A8 (en) | Screening using biological target molecules with metal-ion binding sites | |
DK1133697T3 (da) | Fremgangsmåde til modifikation og identifikation af funktionelle steder i proteiner | |
ATE426807T1 (de) | Proteomanalyse verfahren zum drogen vergleich | |
DK0958351T3 (da) | Chimere målmolekyler med regulerbar aktivitet | |
DE59813125D1 (de) | Srcr domäne-enthaltendes protein | |
ATE269905T1 (de) | Verfahren zur herstellung von proteinen in wirtszellen unter verwendung von chaperoninen | |
WO2003012721A3 (en) | Prediction models for molecular activity and protein binding |
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 |