ATE244729T1 - Verfahren zur identifizierung von wirkstoffen gegen hcv durch verwendung von strukturkoordinaten der hepatitis-c-virus- protease - Google Patents

Verfahren zur identifizierung von wirkstoffen gegen hcv durch verwendung von strukturkoordinaten der hepatitis-c-virus- protease

Info

Publication number
ATE244729T1
ATE244729T1 AT01101009T AT01101009T ATE244729T1 AT E244729 T1 ATE244729 T1 AT E244729T1 AT 01101009 T AT01101009 T AT 01101009T AT 01101009 T AT01101009 T AT 01101009T AT E244729 T1 ATE244729 T1 AT E244729T1
Authority
AT
Austria
Prior art keywords
hepatitis
virus protease
active ingredients
structural coordinates
against hcv
Prior art date
Application number
AT01101009T
Other languages
English (en)
Inventor
Joseph L Kim
Kurt A Morgenstern
Chao Lin
Ted Fox
John A Thomson
Original Assignee
Vertex Pharma
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 Vertex Pharma filed Critical Vertex Pharma
Application granted granted Critical
Publication of ATE244729T1 publication Critical patent/ATE244729T1/de

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Classifications

    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00—Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/48—Biological material, e.g. blood, urine; Haemocytometers
    • G01N33/50—Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
    • G01N33/53—Immunoassay; Biospecific binding assay; Materials therefor
    • G01N33/576—Immunoassay; Biospecific binding assay; Materials therefor for hepatitis
    • G01N33/5767—Immunoassay; Biospecific binding assay; Materials therefor for hepatitis non-A, non-B hepatitis
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K14/00—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof
    • C07K14/005—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof from viruses
    • C—CHEMISTRY; METALLURGY
    • C30—CRYSTAL GROWTH
    • C30B—SINGLE-CRYSTAL GROWTH; UNIDIRECTIONAL SOLIDIFICATION OF EUTECTIC MATERIAL OR UNIDIRECTIONAL DEMIXING OF EUTECTOID MATERIAL; REFINING BY ZONE-MELTING OF MATERIAL; PRODUCTION OF A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; SINGLE CRYSTALS OR HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; AFTER-TREATMENT OF SINGLE CRYSTALS OR A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; APPARATUS THEREFOR
    • C30B29/00—Single crystals or homogeneous polycrystalline material with defined structure characterised by the material or by their shape
    • C30B29/54—Organic compounds
    • C30B29/58—Macromolecular compounds
    • C—CHEMISTRY; METALLURGY
    • C30—CRYSTAL GROWTH
    • C30B—SINGLE-CRYSTAL GROWTH; UNIDIRECTIONAL SOLIDIFICATION OF EUTECTIC MATERIAL OR UNIDIRECTIONAL DEMIXING OF EUTECTOID MATERIAL; REFINING BY ZONE-MELTING OF MATERIAL; PRODUCTION OF A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; SINGLE CRYSTALS OR HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; AFTER-TREATMENT OF SINGLE CRYSTALS OR A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; APPARATUS THEREFOR
    • C30B7/00—Single-crystal growth from solutions using solvents which are liquid at normal temperature, e.g. aqueous solutions
    • 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 [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K2299/00—Coordinates from 3D structures of peptides, e.g. proteins or enzymes
    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
    • C12N2770/00—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA ssRNA viruses positive-sense
    • C12N2770/00011—Details
    • C12N2770/24011—Flaviviridae
    • C12N2770/24211—Hepacivirus, e.g. hepatitis C virus, hepatitis G virus
    • C12N2770/24222—New viral proteins or individual genes, new structural or functional aspects of known viral proteins or genes
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N2333/00—Assays involving biological materials from specific organisms or of a specific nature
    • G01N2333/005—Assays involving biological materials from specific organisms or of a specific nature from viruses
    • G01N2333/08—RNA viruses
    • G01N2333/18—Togaviridae; Flaviviridae
    • 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 [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment

Landscapes

  • Chemical & Material Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Organic Chemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • Medicinal Chemistry (AREA)
  • Immunology (AREA)
  • Physics & Mathematics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Molecular Biology (AREA)
  • Urology & Nephrology (AREA)
  • Biomedical Technology (AREA)
  • Metallurgy (AREA)
  • Materials Engineering (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Hematology (AREA)
  • Biotechnology (AREA)
  • Biophysics (AREA)
  • Biochemistry (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Food Science & Technology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Gastroenterology & Hepatology (AREA)
  • Communicable Diseases (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Virology (AREA)
  • Cell Biology (AREA)
  • Theoretical Computer Science (AREA)
  • Medical Informatics (AREA)
  • Microbiology (AREA)
  • General Physics & Mathematics (AREA)
  • Analytical Chemistry (AREA)
  • Genetics & Genomics (AREA)
  • Pathology (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Evolutionary Biology (AREA)
  • Peptides Or Proteins (AREA)
  • Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
  • Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)
AT01101009T 1996-09-12 1997-09-12 Verfahren zur identifizierung von wirkstoffen gegen hcv durch verwendung von strukturkoordinaten der hepatitis-c-virus- protease ATE244729T1 (de)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US2527496P 1996-09-12 1996-09-12
US08/731,336 US6153579A (en) 1996-09-12 1996-10-18 Crystallizable compositions comprising a hepatitis C virus NS3 protease domain/NS4A complex

Publications (1)

Publication Number Publication Date
ATE244729T1 true ATE244729T1 (de) 2003-07-15

Family

ID=26699520

Family Applications (3)

Application Number Title Priority Date Filing Date
AT01101009T ATE244729T1 (de) 1996-09-12 1997-09-12 Verfahren zur identifizierung von wirkstoffen gegen hcv durch verwendung von strukturkoordinaten der hepatitis-c-virus- protease
AT97942450T ATE216400T1 (de) 1996-09-12 1997-09-12 Kristallisierbare zusammensetzungen, die einen komplex von protein-domäne ns3aus dem virus von hepatitis c und ns4a enthalten und damit bereitgestellte kristalle
AT03015398T ATE346088T1 (de) 1996-09-12 1997-09-12 Kristallisierbare zusammensetzungen, die einen komplex von protease-domäne ns3 und ns4a aus dem hepatitis c virus enthalten, und damit bereitgestellte kristalle

Family Applications After (2)

Application Number Title Priority Date Filing Date
AT97942450T ATE216400T1 (de) 1996-09-12 1997-09-12 Kristallisierbare zusammensetzungen, die einen komplex von protein-domäne ns3aus dem virus von hepatitis c und ns4a enthalten und damit bereitgestellte kristalle
AT03015398T ATE346088T1 (de) 1996-09-12 1997-09-12 Kristallisierbare zusammensetzungen, die einen komplex von protease-domäne ns3 und ns4a aus dem hepatitis c virus enthalten, und damit bereitgestellte kristalle

Country Status (12)

Country Link
US (2) US6153579A (de)
EP (1) EP0935609B1 (de)
JP (1) JP2001501602A (de)
AT (3) ATE244729T1 (de)
AU (1) AU736857B2 (de)
CA (1) CA2264964A1 (de)
DE (3) DE69736995T2 (de)
DK (1) DK0935609T3 (de)
ES (2) ES2202228T3 (de)
IL (1) IL128826A0 (de)
PT (2) PT1118619E (de)
WO (1) WO1998011134A1 (de)

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KR100509388B1 (ko) 1996-10-18 2005-08-23 버텍스 파마슈티칼스 인코포레이티드 세린 프로테아제, 특히 간염 ｃ 바이러스 ｎｓ３ 프로테아제의 저해제
JP2002534084A (ja) 1999-01-08 2002-10-15 ブリストル−マイヤーズ スクイブ カンパニー Ｃ型肝炎ウイルスｎｓ３プロテアーゼの修飾形
US6524589B1 (en) * 1999-04-08 2003-02-25 Schering Corporation Compositions of hepatitis C virus NS3/NS4A complex and methods for crystallizing same
AU775928B2 (en) 1999-10-14 2004-08-19 Bristol-Myers Squibb Company Crystallographic structure of the androgen receptor ligand binding domain
US7491808B2 (en) 2000-06-15 2009-02-17 Novartis Vaccines And Diagnostics, Inc. HCV non-structural protein mutants and uses thereof
MXPA02012605A (es) 2000-06-28 2003-05-14 Squibb Bristol Myers Co Moduladores selectivos del receptor androgeno y metodo para su identificacion, dise°o y uso.
SV2003000617A (es) * 2000-08-31 2003-01-13 Lilly Co Eli Inhibidores de la proteasa peptidomimetica ref. x-14912m
JP2004535758A (ja) 2000-11-14 2004-12-02 ブリストル−マイヤーズ　スクイブ　カンパニー リンパ様細胞ｌｓｉ−０１から分泌される新規なヒトセルピンをコードするポリヌクレオチド
WO2002088303A2 (en) 2001-04-03 2002-11-07 Bristol-Myers Squibb Company Polynucleotide encoding a novel cysteine protease of the calpain superfamily, can-12, and variants thereof
US20030027315A1 (en) * 2001-09-24 2003-02-06 Ada Yonath Methods of growing crystals of free and antibiotic complexed large ribosomal subunits, and methods of rationally designing or identifying antibiotics using structure coordinate data derived from such crystals
WO2005000308A2 (en) * 2003-05-15 2005-01-06 Rigel Pharmaceuticals, Inc. Methods of identifying hcv ns5b polymerase inhibitors and use against hepatitis c
TWI359147B (en) 2003-09-05 2012-03-01 Vertex Pharma Inhibitors of serine proteases, particularly hcv n
KR20060120166A (ko) 2003-10-27 2006-11-24 버텍스 파마슈티칼스 인코포레이티드 Ｈｃｖ ｎｓ３－ｎｓ４ａ 단백질분해효소 저항성 돌연변이
US8187874B2 (en) 2003-10-27 2012-05-29 Vertex Pharmaceuticals Incorporated Drug discovery method
US8399615B2 (en) 2005-08-19 2013-03-19 Vertex Pharmaceuticals Incorporated Processes and intermediates
AR055395A1 (es) 2005-08-26 2007-08-22 Vertex Pharma Compuestos inhibidores de la actividad de la serina proteasa ns3-ns4a del virus de la hepatitis c
US7964624B1 (en) 2005-08-26 2011-06-21 Vertex Pharmaceuticals Incorporated Inhibitors of serine proteases
EP2392589A3 (de) 2005-11-11 2012-06-20 Vertex Pharmaceuticals Incorporated Hepatitis-C-Virusvarianten
US7705138B2 (en) 2005-11-11 2010-04-27 Vertex Pharmaceuticals Incorporated Hepatitis C virus variants
EP1991229A2 (de) 2006-02-27 2008-11-19 Vertex Pharmaceuticals Incorporated Kokristalle und pharmazeutische zusammensetzungen damit
EP1993994A2 (de) * 2006-03-16 2008-11-26 Vertex Pharmceuticals Incorporated Deuterierte hepatitis-c-protease-hemmer
US8440443B1 (en) 2006-05-16 2013-05-14 Merck Sharp & Dohme Corp. MEK1 polypeptides
DK2114924T3 (da) 2007-02-27 2012-04-10 Vertex Pharma Co-krystaller og farmaceutiske sammensætninger omfattende disse
JP2010519329A (ja) 2007-02-27 2010-06-03 バーテックス ファーマシューティカルズ インコーポレイテッド セリンプロテアーゼ阻害剤
CN101835774B (zh) 2007-08-30 2014-09-17 弗特克斯药品有限公司 共晶体和包含该共晶体的药物组合物
US8988881B2 (en) * 2007-12-18 2015-03-24 Sandia Corporation Heat exchanger device and method for heat removal or transfer
US9005417B1 (en) 2008-10-01 2015-04-14 Sandia Corporation Devices, systems, and methods for microscale isoelectric fractionation
US9795961B1 (en) 2010-07-08 2017-10-24 National Technology & Engineering Solutions Of Sandia, Llc Devices, systems, and methods for detecting nucleic acids using sedimentation
US9261100B2 (en) 2010-08-13 2016-02-16 Sandia Corporation Axial flow heat exchanger devices and methods for heat transfer using axial flow devices

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US4833233A (en) * 1987-08-20 1989-05-23 The United States Of America As Represented By The Administrator Of The National Aeronautics And Space Administration Human serum albumin crystals and method of preparation
US5353236A (en) * 1992-04-23 1994-10-04 The Board Of Trustees Of The Leland Stanford University High-resolution crystallographic modelling of a macromolecule
US5453937A (en) * 1993-04-28 1995-09-26 Immunex Corporation Method and system for protein modeling
IT1272179B (it) * 1994-02-23 1997-06-16 Angeletti P Ist Richerche Bio Metodologia per riprodurre in vitro l'attivita' proteolitica della proteasi ns3 del virus hcv.

Also Published As

Publication number Publication date
IL128826A0 (en) 2000-01-31
DE69723485T2 (de) 2004-05-27
WO1998011134A1 (en) 1998-03-19
DE69712085D1 (de) 2002-05-23
ATE216400T1 (de) 2002-05-15
AU4414597A (en) 1998-04-02
CA2264964A1 (en) 1998-03-19
AU736857B2 (en) 2001-08-02
DE69736995T2 (de) 2007-09-20
DE69723485D1 (de) 2003-08-14
HK1022700A1 (en) 2000-08-18
JP2001501602A (ja) 2001-02-06
PT1118619E (pt) 2003-11-28
PT935609E (pt) 2002-09-30
EP0935609A1 (de) 1999-08-18
HK1038573A1 (en) 2002-03-22
US6153579A (en) 2000-11-28
ES2175462T3 (es) 2002-11-16
DE69736995D1 (de) 2007-01-04
DE69712085T2 (de) 2002-11-28
ATE346088T1 (de) 2006-12-15
ES2202228T3 (es) 2004-04-01
EP0935609B1 (de) 2002-04-17
US6303287B1 (en) 2001-10-16
DK0935609T3 (da) 2002-07-22

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