AU2001271972A1 - Accessibility correction factors for electronic models of cytochrome P450 metabolism - Google Patents

Accessibility correction factors for electronic models of cytochrome P450 metabolism

Info

Publication number
AU2001271972A1
AU2001271972A1 AU2001271972A AU7197201A AU2001271972A1 AU 2001271972 A1 AU2001271972 A1 AU 2001271972A1 AU 2001271972 A AU2001271972 A AU 2001271972A AU 7197201 A AU7197201 A AU 7197201A AU 2001271972 A1 AU2001271972 A1 AU 2001271972A1
Authority
AU
Australia
Prior art keywords
accessibility
correction factor
molecule
site
atom
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.)
Abandoned
Application number
AU2001271972A
Other languages
English (en)
Inventor
Todd J. A. Ewing
Jean-Pierre Kocher
Kenneth R. Korzekwa
Hung Tieu
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Arqule Inc
Original Assignee
Camitro Corp
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
Priority claimed from US09/613,875 external-priority patent/US6625547B1/en
Application filed by Camitro Corp filed Critical Camitro Corp
Publication of AU2001271972A1 publication Critical patent/AU2001271972A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • 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
    • 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
    • G01N33/68—Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing involving proteins, peptides or amino acids
    • G01N33/6803—General methods of protein analysis not limited to specific proteins or families of proteins
    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12Q—MEASURING OR TESTING PROCESSES INVOLVING ENZYMES, NUCLEIC ACIDS OR MICROORGANISMS; COMPOSITIONS OR TEST PAPERS THEREFOR; PROCESSES OF PREPARING SUCH COMPOSITIONS; CONDITION-RESPONSIVE CONTROL IN MICROBIOLOGICAL OR ENZYMOLOGICAL PROCESSES
    • C12Q1/00—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions
    • C12Q1/26—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions involving oxidoreductase
    • 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
    • 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
    • G01N2333/795—Porphyrin- or corrin-ring-containing peptides
    • 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
    • G01N2333/795—Porphyrin- or corrin-ring-containing peptides
    • G01N2333/80—Cytochromes
    • 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
    • G01N2333/90—Enzymes; Proenzymes
    • G01N2333/902—Oxidoreductases (1.)
    • G01N2333/90245—Oxidoreductases (1.) acting on paired donors with incorporation of molecular oxygen (1.14)
    • 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
    • G16B5/00—ICT specially adapted for modelling or simulations in systems biology, e.g. gene-regulatory networks, protein interaction networks or metabolic networks

Landscapes

  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Biophysics (AREA)
  • Molecular Biology (AREA)
  • Biotechnology (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Immunology (AREA)
  • Organic Chemistry (AREA)
  • Medical Informatics (AREA)
  • Evolutionary Biology (AREA)
  • Theoretical Computer Science (AREA)
  • Biomedical Technology (AREA)
  • Biochemistry (AREA)
  • Zoology (AREA)
  • Wood Science & Technology (AREA)
  • Hematology (AREA)
  • Medicinal Chemistry (AREA)
  • Microbiology (AREA)
  • Urology & Nephrology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Analytical Chemistry (AREA)
  • General Physics & Mathematics (AREA)
  • Food Science & Technology (AREA)
  • Pathology (AREA)
  • Cell Biology (AREA)
  • Pharmacology & Pharmacy (AREA)
  • General Engineering & Computer Science (AREA)
  • Genetics & Genomics (AREA)
  • Physiology (AREA)
  • Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)
  • Insulated Gate Type Field-Effect Transistor (AREA)
  • Apparatus Associated With Microorganisms And Enzymes (AREA)
  • Enzymes And Modification Thereof (AREA)
AU2001271972A 2000-07-10 2001-07-09 Accessibility correction factors for electronic models of cytochrome P450 metabolism Abandoned AU2001271972A1 (en)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
US21722700P 2000-07-10 2000-07-10
US60217227 2000-07-10
US09613875 2000-07-10
US09/613,875 US6625547B1 (en) 1998-08-05 2000-07-10 Relative rates of cytochrome p450 metabolism
PCT/US2001/021734 WO2002009012A2 (fr) 2000-07-10 2001-07-09 Facteurs de correction de l'accessibilite aux modeles electroniques du metabolisme de cytochromes p450

Publications (1)

Publication Number Publication Date
AU2001271972A1 true AU2001271972A1 (en) 2002-02-05

Family

ID=26911738

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2001271972A Abandoned AU2001271972A1 (en) 2000-07-10 2001-07-09 Accessibility correction factors for electronic models of cytochrome P450 metabolism

Country Status (6)

Country Link
US (1) US20020040276A1 (fr)
EP (1) EP1301620A2 (fr)
JP (1) JP2004504819A (fr)
AU (1) AU2001271972A1 (fr)
CA (1) CA2415306A1 (fr)
WO (1) WO2002009012A2 (fr)

Families Citing this family (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP1417626A2 (fr) * 2001-07-13 2004-05-12 Pharmacopeia, Inc. Systeme et procede de prevision de solubilite aqueuse
JP4343222B2 (ja) * 2004-03-31 2009-10-14 富士通株式会社 薬物代謝酵素予測装置
US8917165B2 (en) * 2007-03-08 2014-12-23 The Mitre Corporation RFID tag detection and re-personalization
EP2354987A2 (fr) 2008-11-12 2011-08-10 Bioinformatics&Molecular Design Research Center Procédé de prédiction d'énergie d'activation au moyen d'un descripteur d'empreinte atomique ou d'un descripteur atomique

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CA2339581A1 (fr) * 1998-08-05 2000-02-17 University Of Pittsburgh Modelisation de la reactivite d'un compose organique dans des reactions induites par le cytochrome p-450

Also Published As

Publication number Publication date
WO2002009012A3 (fr) 2002-05-16
CA2415306A1 (fr) 2002-01-31
EP1301620A2 (fr) 2003-04-16
US20020040276A1 (en) 2002-04-04
JP2004504819A (ja) 2004-02-19
WO2002009012A2 (fr) 2002-01-31

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