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Tropical diseases-related protein-protein interaction analysis by using exhaustive docking

Research Project

Project/Area Number 16K00388
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Life / Health / Medical informatics
Research InstitutionTokyo Institute of Technology

Principal Investigator

Matsuzaki Yuri  東京工業大学, リーダーシップ教育院, 特任准教授 (30572888)

Co-Investigator(Kenkyū-buntansha) 内古閑 伸之  明治大学, 総合数理学部, 助教 (20397483)
黒川 裕美子  国立遺伝学研究所, 新分野創造センター, 特任研究員 (10381633)
Research Collaborator Shimu Yaku  KU Leuven
Marutan Jurietto  Lyon University 1
Renei Giyomu  Lyon University 1
Project Period (FY) 2016-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2018: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2017: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2016: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywordsタンパク質間相互作用 / タンパク質ドッキング / タンパク質間相互作用ネットワーク / 並列計算
Outline of Final Research Achievements

We have developed a computational method of protein-protein interaction (PPI) prediction by using interaction profile analysis of rigid-docking decoys. By combining originially developed interaction fingerprint representation of docking decoys and an extended machine learning (extra-trees) method, we have successfully improved prediction performance of conventional docking based prediction methods. We applied this PPI prediction method on predicting i) PPIs of Trypanosoma cruzi and ii) interactions of dengue virus and human proteins and obtained in total 67 novel PPI candidates. Two candidate pairs of high prediction score were tested by immunoprecipitation experiments and one was confirmed to have affinity. We have also conducted comparison analysis of virus-human and human-human protein interactions in terms of interaction fingerprints of docking decoy set.

Academic Significance and Societal Importance of the Research Achievements

熱帯病を引き起こす寄生生物やウイルスに関する基礎的な生物学研究は,経済的な問題からあまり進んでおらず,多くのPPI 情報が既に知られているヒトとは異なり,新規PPI 発見やPPI ネットワークの理解が創薬におけるターゲットタンパク質の選択に有用な情報となる.PPI 予測は困難な問題である一方,現時点で15万件をこえるタンパク質立体構造データが公開データベース(PDB)に蓄積されている.従来のPPI ネットワーク予測研究では十分には活用されてこなかったこれらのデータを活用することで,未知PPI の発見や,ウイルス-宿主間PPI の特徴の発見などの結果を得ることが期待できる.

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (21 results)

All 2019 2018 2017 2016 Other

All Int'l Joint Research (4 results) Journal Article (3 results) (of which Peer Reviewed: 3 results,  Open Access: 2 results) Presentation (14 results) (of which Int'l Joint Research: 14 results)

  • [Int'l Joint Research] KU Leuven(ベルギー)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Claude Bernard University Lyon 1(フランス)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] KU Leuven(ベルギー)

    • Related Report
      2017 Research-status Report
  • [Int'l Joint Research] University of Lyon(フランス)

    • Related Report
      2017 Research-status Report
  • [Journal Article] MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions.2018

    • Author(s)
      Takanori Hayashi, Yuri Matsuzaki, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama
    • Journal Title

      BMC Bioinformatics

      Volume: 19 Issue: S4 Pages: 62-72

    • DOI

      10.1186/s12859-018-2073-x

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Rigid-Docking Approaches to Explore Protein-Protein Interaction Space2016

    • Author(s)
      Yuri Matsuzaki, Nobuyuki Uchikoga Masahito Ohue, Yutaka Akiyama
    • Journal Title

      Advances in Biochemical Engineering/Biotechnology

      Volume: ー Pages: 1-23

    • DOI

      10.1007/10_2016_41

    • ISBN
      9783319564593, 9783319564609
    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Journal Article] Specificity of broad protein interaction surfaces for proteins with multiple binding partners2016

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Journal Title

      Biophysics and Physicobiology

      Volume: 13 Issue: 0 Pages: 105-115

    • DOI

      10.2142/biophysico.13.0_105

    • NAID

      130005165366

    • ISSN
      2189-4779
    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] Megadock-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions.2019

    • Author(s)
      Masahito Ohue, Takanori Hayashi, Yuri Matsuzaki, Keisuke Yanagisawa, Yutaka Akiyama
    • Organizer
      Biophysical Society 63rd Annual Meeting
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Pattern of codon usage for chemotaxis related protein genes in E.coli and T.maritima.2019

    • Author(s)
      Serika Taga, Nobuyuki Uchikoga, Takanori Sasaki
    • Organizer
      The 22nd International Conference on Research in Computational Molecular Biology (RECOMB) 2019
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Supercomputing-based exhaustive protein-protein interaction prediction and its open database.2018

    • Author(s)
      Masahito Ohue, Takanori Hayashi, Hiroki Watanabe, Yuri Matsuzaki, Nobuyuki Uchikoga, Yutaka Akiyama
    • Organizer
      第56回生物物理学会年会(岡山大学)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Analysis of amino acid sequences of protein interaction surfaces by rigid-body docking for known and unknown protein complex pairs.2018

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki
    • Organizer
      第56回生物物理学会年会(岡山大学)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A large decoy dataset for protein-protein docking model quality assessment.2018

    • Author(s)
      Takanori Hayashi, Masahito Ohue, Juliette Martin, Guillaume Launay, Yuri Matsuzaki, Nobuyuki Uchikoga, Yutaka Akiyama
    • Organizer
      第56回生物物理学会年会(岡山大学)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Interaction surfaces of proteins involved in bacterial chemotaxis with rigid-body docking decoys.2017

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      Biophysical Society 61st Annual Meeting
    • Place of Presentation
      New Orleans, USA
    • Year and Date
      2017-02-11
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Cloud computing for all-to-all protein-protein docking on Azure HPC.2017

    • Author(s)
      Masahito Ohue, Yuki Yamamoto, Takanori Hayashi, Yuri Matsuzaki, Yutaka Akiyama
    • Organizer
      Biophysical Society 61st Annual Meeting
    • Place of Presentation
      New Orleans, USA
    • Year and Date
      2017-02-11
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] A docking based approach to analyze interactin surfaces of virus-host protein-protein interactions.2017

    • Author(s)
      Yuri Matsuzaki, Nobuyuki Uchikoga, Jaak Simm, Yutaka Akiyama
    • Organizer
      Biophysical Society 61st Annual Meeting
    • Place of Presentation
      New Orleans, USA
    • Year and Date
      2017-02-11
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] A docking based approach to analyze interaction surfaces of protein-protein Interactions.2017

    • Author(s)
      Yuri Matsuzaki, Jaak Simm, Nobuyuki Uchikoga
    • Organizer
      The 25th Conference on Intelligent Systems for Molecular Biology (ISMB2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Analysis of protein interaction surfaces using a profile method with rigid-body docking decoys.2017

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      The 25th Conference on Intelligent Systems for Molecular Biology (ISMB2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Protein interaction surfaces of protein-protein interaction networks in bacterial chemotaxis networks using profile methods.2017

    • Author(s)
      Nobuyuki Uchikoga, Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama
    • Organizer
      The 55th Annual Meeting of the Biophysical Society of Japan (2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Rigid docking based protein-protein interaction prediction by using high scoring docking models.2016

    • Author(s)
      Yuri Matsuzaki
    • Organizer
      The 54th Annual Meeting of the Biophysical Society of Japan (Symposium 2SEA: Applications of protein structure data for understanding biological phenomenon)
    • Place of Presentation
      茨城県
    • Year and Date
      2016-11-25
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Profile analysis of protein interaction surface with rigid-body docking decoys.2016

    • Author(s)
      Nobuyuki Uchikoga
    • Organizer
      The 54th Annual Meeting of the Biophysical Society of Japan (Symposium 2SEA: Applications of protein structure data for understanding biological phenomenon)
    • Place of Presentation
      茨城県
    • Year and Date
      2016-11-25
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Protein-protein interaction network prediction by using rigid-body docking.2016

    • Author(s)
      Yuri Matsuzaki, Nobuyuki Uchikoga, Jaak Simm
    • Organizer
      17th International Conference on Systems Biology (ICSB2016)
    • Place of Presentation
      Bercelona, Spain
    • Year and Date
      2016-09-16
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research

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Published: 2016-04-21   Modified: 2020-03-30  

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