WO2010026738A3 - 酵素活性をコンピュータを用いたシミュレーションにより予測する方法 - Google Patents

酵素活性をコンピュータを用いたシミュレーションにより予測する方法 Download PDF

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Publication number
WO2010026738A3
WO2010026738A3 PCT/JP2009/004286 JP2009004286W WO2010026738A3 WO 2010026738 A3 WO2010026738 A3 WO 2010026738A3 JP 2009004286 W JP2009004286 W JP 2009004286W WO 2010026738 A3 WO2010026738 A3 WO 2010026738A3
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WO
WIPO (PCT)
Prior art keywords
enzyme activity
predicting
computer simulation
predicting enzyme
proteins
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PCT/JP2009/004286
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English (en)
French (fr)
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WO2010026738A2 (ja
Inventor
高岡裕
三浦研爾
西尾久英
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国立大学法人神戸大学
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Application filed by 国立大学法人神戸大学 filed Critical 国立大学法人神戸大学
Priority to JP2010527692A priority Critical patent/JP5447383B2/ja
Publication of WO2010026738A2 publication Critical patent/WO2010026738A2/ja
Publication of WO2010026738A3 publication Critical patent/WO2010026738A3/ja

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    • 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

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  • Spectroscopy & Molecular Physics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Biotechnology (AREA)
  • Biophysics (AREA)
  • Health & Medical Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Evolutionary Biology (AREA)
  • General Health & Medical Sciences (AREA)
  • Medical Informatics (AREA)
  • Theoretical Computer Science (AREA)
  • Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)
  • Apparatus Associated With Microorganisms And Enzymes (AREA)

Abstract

　本発明は、タンパク質を用いて実際に酵素活性を測定しなくても、タンパク質の立体構造に基づいて酵素活性を予測可能とすることを課題とする。かかる課題は、コンピュータによりタンパク質と基質とのドッキングシミュレーションを行い、かかるドッキングシミュレーションの結果を式１または３に代入して、タンパク質の酵素活性を予測することにより解決される。
PCT/JP2009/004286 2008-09-05 2009-09-01 酵素活性をコンピュータを用いたシミュレーションにより予測する方法 WO2010026738A2 (ja)

Priority Applications (1)

Application Number Priority Date Filing Date Title
JP2010527692A JP5447383B2 (ja) 2008-09-05 2009-09-01 酵素活性をコンピュータを用いたシミュレーションにより予測する方法

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
JP2008-228434 2008-09-05
JP2008228434 2008-09-05

Publications (2)

Publication Number Publication Date
WO2010026738A2 WO2010026738A2 (ja) 2010-03-11
WO2010026738A3 true WO2010026738A3 (ja) 2010-05-14

Family

ID=41797601

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/JP2009/004286 WO2010026738A2 (ja) 2008-09-05 2009-09-01 酵素活性をコンピュータを用いたシミュレーションにより予測する方法

Country Status (2)

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JP (1) JP5447383B2 (ja)
WO (1) WO2010026738A2 (ja)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP5905781B2 (ja) * 2012-06-13 2016-04-20 学校法人沖縄科学技術大学院大学学園 相互作用予測装置、相互作用予測方法、および、プログラム

Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2004295654A (ja) * 2003-03-27 2004-10-21 National Institute Of Agrobiological Sciences リガンドライブラリを利用したタンパク質の機能推定法
JP2007272627A (ja) * 2006-03-31 2007-10-18 Nec Corp スクリーニング方法およびスクリーニングシステム

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2004295654A (ja) * 2003-03-27 2004-10-21 National Institute Of Agrobiological Sciences リガンドライブラリを利用したタンパク質の機能推定法
JP2007272627A (ja) * 2006-03-31 2007-10-18 Nec Corp スクリーニング方法およびスクリーニングシステム

Non-Patent Citations (4)

* Cited by examiner, † Cited by third party
Title
"80th The Japanese Biochemical Society Taikai, 30th Annual Meeting of the Molecular Biology Society of Japan Godo Taikai Koen Yoshishu, 2007.12", article YUTAKA TAKAOKA ET AL.: "Hen'igata UDP-glucuronic Acid Ten'i Koso no Kozo Oyobi Kishitsu tono Sogo Sayo no in silico Kaiseki" *
BJELIC, S. ET AL.: "Computational Prediction of Structure, Substrate Binding Mode, Mechanism, and Rate for a Malaria Protease with a Novel Type of Active Site", BIOCHEMISTRY, vol. 43, no. 46, 2004, pages 14521 - 8 *
HERMANN, J.C.: "Structure-based activity prediction for an enzyme of unknown function", NATURE, vol. 448, no. 7155, 16 August 2007 (2007-08-16), pages 775 - 9 *
WANG, Q.: "Prediction of the binding modes between BB-83698 and peptide deformylase from Bacillus stearothermophilus by docking and molecular dynamics simulation", BIOPHYSICAL CHEMISTRY, vol. 134, no. 3, May 2008 (2008-05-01), pages 178 - 84 *

Also Published As

Publication number Publication date
JP5447383B2 (ja) 2014-03-19
JPWO2010026738A1 (ja) 2012-01-26
WO2010026738A2 (ja) 2010-03-11

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