BRPI0418762A - complexos de inibidor de hdm2 e usos dos mesmos - Google Patents

complexos de inibidor de hdm2 e usos dos mesmos

Info

Publication number
BRPI0418762A
BRPI0418762A BRPI0418762-8A BRPI0418762A BRPI0418762A BR PI0418762 A BRPI0418762 A BR PI0418762A BR PI0418762 A BRPI0418762 A BR PI0418762A BR PI0418762 A BRPI0418762 A BR PI0418762A
Authority
BR
Brazil
Prior art keywords
hdm2
ligands
inhibitor complexes
function
diffraction patterns
Prior art date
Application number
BRPI0418762-8A
Other languages
English (en)
Inventor
Carsten Schubert
Bruce Grasberger
Diane Maguire
Ingrid Deckman
John Spurlino
Original Assignee
Ortho Mcneil Pharm 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 Ortho Mcneil Pharm Inc filed Critical Ortho Mcneil Pharm Inc
Publication of BRPI0418762A publication Critical patent/BRPI0418762A/pt

Links

Classifications

    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/30Detection of binding sites or motifs
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/48Biological material, e.g. blood, urine; Haemocytometers
    • G01N33/50Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
    • G01N33/53Immunoassay; Biospecific binding assay; Materials therefor
    • G01N33/575Immunoassay; Biospecific binding assay; Materials therefor for cancer
    • G01N33/57575Immunoassay; Biospecific binding assay; Materials therefor for cancer involving oncogenic proteins
    • AHUMAN NECESSITIES
    • A61MEDICAL OR VETERINARY SCIENCE; HYGIENE
    • A61PSPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
    • A61P35/00Antineoplastic agents
    • CCHEMISTRY; METALLURGY
    • C07ORGANIC CHEMISTRY
    • C07KPEPTIDES
    • C07K14/00Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof
    • C07K14/82Translation products from oncogenes
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30Drug targeting using structural data; Docking or binding prediction
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/20Allele or variant detection, e.g. single nucleotide polymorphism [SNP] detection
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/50Mutagenesis
    • CCHEMISTRY; METALLURGY
    • C07ORGANIC CHEMISTRY
    • C07KPEPTIDES
    • C07K2299/00Coordinates from 3D structures of peptides, e.g. proteins or enzymes
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N2500/00Screening for compounds of potential therapeutic value
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00ICT 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)
  • Physics & Mathematics (AREA)
  • Chemical & Material Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Biophysics (AREA)
  • Molecular Biology (AREA)
  • Biotechnology (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Theoretical Computer Science (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Genetics & Genomics (AREA)
  • Analytical Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Immunology (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Organic Chemistry (AREA)
  • Urology & Nephrology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Biochemistry (AREA)
  • Biomedical Technology (AREA)
  • Hematology (AREA)
  • General Chemical & Material Sciences (AREA)
  • Public Health (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Microbiology (AREA)
  • General Physics & Mathematics (AREA)
  • Pathology (AREA)
  • Cell Biology (AREA)
  • Nuclear Medicine, Radiotherapy & Molecular Imaging (AREA)
  • Veterinary Medicine (AREA)
  • Food Science & Technology (AREA)
  • Gastroenterology & Hepatology (AREA)
  • Oncology (AREA)
  • Animal Behavior & Ethology (AREA)

Abstract

COMPLEXOS DE INIBIDOR DE HDM2 E USOS DOS MESMOS. A presente invenção refere-se a peptídeos de HDM2 cristalizada como também descrições dos padrões de difração de raios X dps cristais. Os padrões de difração permitem a estrutura tridimensional de HDM2 ser determinada em resolução atómica de forma que os sítios de ligação de ligante na HDM2 podem ser identificados e as interações dos ligantes com os resíduos de aminoácidos da HDM2 podem ser modeladas. Modelos preparados usando tais mapas permitem o projeto de ligantes que podem funcionar domo agentes ativos que incluem, mas não são limitados a, aqueles que funcionam como inibidores de MDM2 e oncoproteínas de HDM2.
BRPI0418762-8A 2004-04-22 2004-04-22 complexos de inibidor de hdm2 e usos dos mesmos BRPI0418762A (pt)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
PCT/US2004/012347 WO2005114173A2 (en) 2004-04-22 2004-04-22 Hdm2-inhibitor complexes and uses thereof

Publications (1)

Publication Number Publication Date
BRPI0418762A true BRPI0418762A (pt) 2007-10-09

Family

ID=35428992

Family Applications (1)

Application Number Title Priority Date Filing Date
BRPI0418762-8A BRPI0418762A (pt) 2004-04-22 2004-04-22 complexos de inibidor de hdm2 e usos dos mesmos

Country Status (11)

Country Link
EP (1) EP1743040B1 (pt)
JP (1) JP2008501315A (pt)
CN (1) CN1957094A (pt)
AT (1) ATE452995T1 (pt)
AU (1) AU2004319946A1 (pt)
BR (1) BRPI0418762A (pt)
CA (1) CA2564584A1 (pt)
DE (1) DE602004024831D1 (pt)
ES (1) ES2337146T3 (pt)
MX (1) MXPA06012294A (pt)
WO (1) WO2005114173A2 (pt)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
AR133248A1 (es) * 2023-07-13 2025-09-10 Daewoong Pharmaceutical Co Ltd Nuevos compuestos heterocíclicos y composición farmacéutica que comprende los mismos como inhibidores de la adn polimerasa theta para la prevención o tratamiento del cáncer

Family Cites Families (28)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US481212A (en) 1892-08-23 Drying apparatus
US4839288A (en) 1986-01-22 1989-06-13 Institut Pasteur Retrovirus capable of causing AIDS, antigens obtained from this retrovirus and corresponding antibodies and their application for diagnostic purposes
US5466585A (en) 1986-04-15 1995-11-14 Ciba-Geigy Corporation Interferon-induced human protein in pure form, monoclonal antibodies thereto, and test kits containing these antibodies
US4906122A (en) 1988-11-28 1990-03-06 Barrett Edward J Coupling for molecular models
CA2002536C (en) 1989-11-08 1996-02-20 Peter H. Buist Dynamic molecular model
US5331573A (en) * 1990-12-14 1994-07-19 Balaji Vitukudi N Method of design of compounds that mimic conformational features of selected peptides
US5200910A (en) 1991-01-30 1993-04-06 The Board Of Trustees Of The Leland Stanford University Method for modelling the electron density of a crystal
JPH07502164A (ja) 1991-09-20 1995-03-09 フレッド ハッチンソン キャンサー リサーチ センター ヒトサイクリンe
US5583973A (en) 1993-09-17 1996-12-10 Trustees Of Boston University Molecular modeling method and system
DE4345249C2 (de) * 1993-11-19 1997-12-11 Deutsches Krebsforsch hdm-2-Fragmente mit Bindungsregionen für hdm-2-spezifische Antikörper
US5770377A (en) * 1994-07-20 1998-06-23 University Of Dundee Interruption of binding of MDM2 and P53 protein and therapeutic application thereof
US6071700A (en) 1995-01-20 2000-06-06 University Of Massachusetts Heterologous polypeptide production in the absence of nonsense-mediated MRNA decay functions
US5612894A (en) 1995-02-08 1997-03-18 Wertz; David H. System and method for molecular modeling utilizing a sensitivity factor
US5994503A (en) 1995-03-27 1999-11-30 Yale University Nucleotide and protein sequences of lats genes and methods based thereon
DE69628936T2 (de) * 1995-09-18 2004-05-27 Cancer Research Technology Ltd. Test zur identifikation von inhibitoren der interaktion zwischen p53 und dm2 proteinen
US6075123A (en) 1996-06-03 2000-06-13 St. Jude Children's Research Hospital Cyclin-C variants, and diagnostic and therapeutic uses thereof
US5961976A (en) 1996-06-03 1999-10-05 United Biomedical, Inc. Antibodies against a host cell antigen complex for pre- and post-exposure protection from infection by HIV
EP0958305B1 (en) * 1996-07-05 2008-06-04 Cancer Research Technology Limited Inhibitions of the interaction between p53 and mdm2
US5942428A (en) 1996-08-21 1999-08-24 Sugen, Inc. Crystals of the tyrosine kinase domain of non-insulin receptor tyrosine kinases
US6037117A (en) 1997-01-31 2000-03-14 Smithkline Beecham Corporation Methods using the Staphylococcus aureus glycyl tRNA synthetase crystalline structure
AU8140898A (en) 1997-06-13 1998-12-30 Northwestern University Inhibitors of beta-lactamases and uses therefor
US6093573A (en) 1997-06-20 2000-07-25 Xoma Three-dimensional structure of bactericidal/permeability-increasing protein (BPI)
US6080576A (en) 1998-03-27 2000-06-27 Lexicon Genetics Incorporated Vectors for gene trapping and gene activation
AU775928B2 (en) * 1999-10-14 2004-08-19 Bristol-Myers Squibb Company Crystallographic structure of the androgen receptor ligand binding domain
WO2002004601A2 (en) * 2000-07-12 2002-01-17 Philadelphia, Health And Education Corporation Mammalian mdm2 binding proteins and uses thereof
US20040005687A1 (en) * 2001-08-14 2004-01-08 The Institute Of Cancer Research Kinase crystal structures
WO2003066677A1 (en) * 2002-02-05 2003-08-14 Japan Science And Technology Agency Egf/egfr complex
US20040197893A1 (en) * 2002-10-16 2004-10-07 Carsten Schubert HDM2-inhibitor complexes and uses thereof

Also Published As

Publication number Publication date
AU2004319946A1 (en) 2005-12-01
DE602004024831D1 (de) 2010-02-04
JP2008501315A (ja) 2008-01-24
ATE452995T1 (de) 2010-01-15
CA2564584A1 (en) 2005-12-01
WO2005114173A3 (en) 2006-08-17
EP1743040A4 (en) 2007-09-12
EP1743040A2 (en) 2007-01-17
MXPA06012294A (es) 2007-03-15
ES2337146T3 (es) 2010-04-21
WO2005114173A2 (en) 2005-12-01
EP1743040B1 (en) 2009-12-23
CN1957094A (zh) 2007-05-02

Similar Documents

Publication Publication Date Title
Greenblatt et al. Structure of acetylcholinesterase complexed with (−)-galanthamine at 2.3 Å resolution
Palermo et al. Fighting cancer with transition metal complexes: from naked DNA to protein and chromatin targeting strategies
Walsh et al. Neoproterozoic tectonic evolution of the jebel Saghro and Bou Azzer—El Graara inliers, eastern and central Anti-Atlas, Morocco
Brandt et al. Molecular dynamics study of zinc binding to cysteines in a peptide mimic of the alcohol dehydrogenase structural zinc site
Savage et al. [11] Determination of water structure around biomolecules using x-ray and neutron diffraction methods
Zilberg et al. Carbonate and carbonate anion radicals in aqueous solutions exist as CO 3 (H 2 O) 6 2− and CO 3 (H 2 O) 6˙− respectively: the crucial role of the inner hydration sphere of anions in explaining their properties
DK1631318T3 (da) Magnetiske nanopartikler bundet til en ligand
Bos et al. The crystal and molecular structure of cyclopentadienyltin (II) chloride. The bonding of the cyclopentadienyl group in tin (II) compounds
Boulmene et al. Ab Initio and DFT Studies on CO2 Interacting with Znq+–Imidazole (q= 0, 1, 2) Complexes: Prediction of Charge Transfer through σ‐or π‐Type Models
Callsen et al. Semiempirical van der Waals interactions versus ab initio nonlocal correlation effects in the thiophene-Cu (111) system
BRPI0418762A (pt) complexos de inibidor de hdm2 e usos dos mesmos
Hussain et al. Estimating the binding ability of onium ions with CO 2 and π systems: a computational investigation
Šponer et al. Interactions of hydrated divalent metal cations with nucleic acid bases. How to relate the gas phase data to solution situation and binding selectivity in nucleic acids
Freeman et al. Protein binding on stepped calcite surfaces: simulations of ovocleidin-17 on calcite {31.16} and {31.8}
Zhang et al. Hydrolysis mechanisms of BNPP mediated by facial copper (II) complexes bearing single alkyl guanidine pendants: cooperation between the metal centers and the guanidine pendants
Jacob et al. Adsorption on surfaces simulated by an embedded cluster approach within the relativistic density functional theory
Tachi et al. Two polyhedral frameworks of an M12L24 spherical complex revealed by replica-exchange molecular dynamics simulations
Abakumov et al. New paramagnetic derivatives of N-heterocyclic germylenes: An EPR study
Mylonas et al. An extremely stable Ni (II) complex derived from the hydrolytic cleavage of the C-terminal tail of histone H2A
Atkinson et al. Molecular mechanics and chemical reactivity. A model study of steric effects influencing Co (III) phosphate ester hydrolysis
Lee et al. Structures and binding energies of K+· H2O, K+· CO2 and K+· N2
Mihaylov et al. DFT-based molecular modeling and vibrational study of the La (III) complex of 3, 3′-(benzylidene) bis (4-hydroxycoumarin)
BRPI0503173A (pt) composição para reduzir lipìdios sangüìneos
BRPI0606447A (pt) estrutura de receptor de estrogênio
Mikhailov et al. Models of molecular structure of heteronuclear clusters Al2Fe3, Al2Co3, and Al2Ni3 according to the data of quantum-chemical density functional simulation

Legal Events

Date Code Title Description
B07D Technical examination (opinion) related to article 229 of industrial property law [chapter 7.4 patent gazette]
B07E Notification of approval relating to section 229 industrial property law [chapter 7.5 patent gazette]

Free format text: NOTIFICACAO DE ANUENCIA RELACIONADA COM O ART 229 DA LPI

B06F Objections, documents and/or translations needed after an examination request according [chapter 6.6 patent gazette]
B06T Formal requirements before examination [chapter 6.20 patent gazette]
B11E Dismissal acc. art. 34 of ipl - requirements for examination incomplete
B11T Dismissal of application maintained [chapter 11.20 patent gazette]