• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

In silico drug design study targeting CRK-C3G interaction for future development of anticarcinogenic agent

Research Project

Project/Area Number 21590122
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Drug development chemistry
Research InstitutionKitasato University

Principal Investigator

HIRONO Shuichi  北里大学, 薬学部, 教授 (30146328)

Co-Investigator(Kenkyū-buntansha) GOUDA Hiroaki  北里大学, 薬学部, 准教授 (60276160)
Co-Investigator(Renkei-kenkyūsha) YAMAOTSU Noriyuki  北里大学, 薬学部, 講師 (60230322)
NAKAGOME Izumi  北里大学, 薬学部, 助教 (30237242)
Project Period (FY) 2009 – 2011
Project Status Completed (Fiscal Year 2011)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2011: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2010: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2009: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Keywords抗ガン剤 / イン・シリコ分子設計 / 蛋白質-蛋白質相互作用 / 抗癌剤 / ドラッグデザイン / タンパク質間相互作用 / 医薬分子設計 / イン・シリコ創薬 / 蛋白-蛋白相互作用 / 抗ガン剤開発
Research Abstract

The interaction between adapter protein CRK and guanine-nucleotide exchange protein C3G is an attractive target for the development of novel anticarcinogenic agent. Therefore, we explored inhibitors against this protein-protein interaction using a variety of in silico drug discovery technique.

Report

(4 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (47 results)

All 2012 2011 2010 2009

All Journal Article (18 results) (of which Peer Reviewed: 17 results) Presentation (29 results)

  • [Journal Article] Synthesis of new opioid derivatives with a propellane skeleton and their pharmacology. Part 2 : Propellane derivatives with an amide side chain2012

    • Author(s)
      Hiroshi Nagase, Junko Akiyama, Ryo Nakajima, Shigeto Hirayama, Toru Nemoto, Hiroaki Gouda, Shuichi Hirono, Hideaki Fujii
    • Journal Title

      Bioorg. Med. Chem. Lett

      Volume: 22(8) Issue: 8 Pages: 2775-2779

    • DOI

      10.1016/j.bmcl.2012.02.082

    • Related Report
      2011 Annual Research Report 2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Three-Dimensional Solution Structure of Bottromycin A2: A Potent Antibiotic Active against Methicillin-Resistant Staphylococcus aureus and Vancomycin-Resistant Enterococci2012

    • Author(s)
      Hiroaki Gouda, Yutaka Kobayashi, Takeshi Yamada, Tetsuya Ideguchi, Akihiro Sugawara, Tomoyasu Hirose, Satoshi Omura, Toshiaki Sunazuka, Shuichi Hirono
    • Journal Title

      Chemical and Pharmaceutical Bulletin

      Volume: 60 Issue: 2 Pages: 169-171

    • DOI

      10.1248/cpb.60.169

    • NAID

      130001852392

    • ISSN
      0009-2363, 1347-5223
    • Related Report
      2011 Annual Research Report 2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Novel 12-membered non-antibiotic macrolides from erythromycin A ; EM900 series as novel leads for anti-inflammatory and/or immunomodulatory agents2011

    • Author(s)
      Akihiro Sugawara, Akito Sueki, Tomoyasu Hirose, Kenichiro Nagai, Hiroaki Gouda, Shuichi Hirono, Hideaki Shima, Kiyoko S. Akagawa, Satoshi Omura, Toshiaki Sunazuka
    • Journal Title

      Bioorg. Med. Chem. Lett

      Volume: 21(11) Issue: 11 Pages: 3373-3376

    • DOI

      10.1016/j.bmcl.2011.04.004

    • Related Report
      2011 Annual Research Report 2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin2010

    • Author(s)
      Hiroaki Gouda, Toshiaki Sunazuka, Tomoyasu Hirose, Kanami Iguchi, Noriyuki Yamaotsu, Akihiro Sugawara, Yoshihiko Noguchi, Yoshifumi Saito, Tsuyoshi Yamamoto, Takeshi Watanabe, Kazuro Shiomi, Satoshi Omura, Shuichi Hirono
    • Journal Title

      Bioorg. Med. Chem

      Volume: 18(16) Issue: 16 Pages: 5835-5844

    • DOI

      10.1016/j.bmc.2010.06.093

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Investigation of Beckett-Casy model 3 : Synthesis of novel naltrexone derivatives with contracted and expanded D-rings and their pharmacology2010

    • Author(s)
      Hiroshi Nagase, Satomi Imaide, Miyuki Tomatsu, Shigeto Hirayama, Toru Nemoto, Noriko Sato, Mayumi Nakajima, Kaoru Nakao, Hidenori Mochizuki, Hiroaki Gouda, Shuichi Hirono, Hideaki Fujii
    • Journal Title

      Bioorg. Med. Chem. Lett

      Volume: 20(12) Issue: 12 Pages: 3801-3804

    • DOI

      10.1016/j.bmcl.2010.04.044

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Differential conformational behaviors ofα-mycolic acids in Langmuir monolayers and computer simulations2010

    • Author(s)
      Masumi Villeneuve, Mizuo Kawai, Motoko Watanabe, Yutaka Aoyagi, Yukio Hitotsuyanagi, Koichi Takeya, Hiroaki Gouda, Shuichi Hirono, David E. Minnikin, Hiroo Nakahara
    • Journal Title

      Chem. Phys. Lipids

      Volume: 163(6) Issue: 6 Pages: 569-579

    • DOI

      10.1016/j.chemphyslip.2010.04.010

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Drug design and synthesis of a novelκopioid receptor agonist with an oxabicyclo[2.2.2] octane skeleton and its pharmacology2010

    • Author(s)
      Hiroshi Nagase, Akio Watanabe, Toru Nemoto, Noriyuki Yamaotsu, Kohei Hayashida, Mayumi Nakajima, Ko Hasebe, Kaoru Nakao, Hidenori Mochizuki, Shuichi Hirono, Hideaki Fujii
    • Journal Title

      Bioorg. Med. Chem. Lett

      Volume: 20 Pages: 121-124

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Identification of the threedimensional pharmacophore ofκ-opioid receptor agonists2010

    • Author(s)
      Noriyuki Yamaotsu, Hideaki Fujii, Hiroshi Nagase, Shuichi Hirono
    • Journal Title

      Bioorg. Med. Chem

      Volume: 18 Pages: 4446-4452

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin2010

    • Author(s)
      Gouda H, Sunazuka T, Hirose T, Iguchi K, Yamaotsu N, Sugawara A, Noguchi Y, Saito Y, Yamamoto T, Watanabe T, Shiomi K, Omura S, Hirono S
    • Journal Title

      Bioorg.Med.Chem.

      Volume: 18 Pages: 5835-5844

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thiolactomycin inhibits D-aspartate oxidase : a novel approach to probing the active site environment2010

    • Author(s)
      Katane M, Saitoh Y, Hanai T, Sekine M, Furuchi T, Koyama N, Nakagome I, Tomoda H, Hirono S, Homma H
    • Journal Title

      Biochimie.

      Volume: 92 Pages: 1371-1378

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists.2010

    • Author(s)
      Noriyuki Yamaotsu, Hideaki Fujii, Hiroshi Nagase, Shuichi Hirono
    • Journal Title

      Bioorg.Med.Chem.

      Volume: 18 Pages: 4446-4452

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin2009

    • Author(s)
      Hiroaki Gouda, Shinichi Terashima, Kanami Iguchi, Akihiro Sugawara, Yoshifumi Saito, Tsuyoshi Yamamoto, Tomoyasu Hirose, Kazuro Shiomi, Toshiaki Sunazuka, Satoshi. mura, Shuichi Hirono
    • Journal Title

      Bioorg. Med. Chem

      Volume: 17(17) Issue: 17 Pages: 6270-6278

    • DOI

      10.1016/j.bmc.2009.07.045

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Lys17 in the 'lasso' peptide lariatin A is responsible for anti-mycobacterial activity2009

    • Author(s)
      Iwatsuki M, Koizumi Y, Gouda H, Hirono S, Tomoda H, Omura S.
    • Journal Title

      Bioorg. Med. Chem. Lett.

      Volume: 19 Issue: 10 Pages: 2888-2890

    • DOI

      10.1016/j.bmcl.2009.03.033

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Design and synthesis of novel delta opioid receptor agonists and their pharmacologies2009

    • Author(s)
      Hiroshi Nagase, Yumiko Osa, Toru Nemoto, Hideaki Fujii, Masayuki Imai, Takeshi Nakamura, Toshiyuki Kanemasa, Akira Kato, Hiroaki Gouda, Shuichi Hirono
    • Journal Title

      Bioorg. Med. Chem. Lett

      Volume: 19(10) Issue: 10 Pages: 2792-2795

    • DOI

      10.1016/j.bmcl.2009.03.099

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens2009

    • Author(s)
      Hiroaki Gouda, Toshiaki Sunazuka, Kanami Iguchi, Akihiro Sugawara, Tomoyasu Hirose, Yoshihiko Noguchi, Yoshifumi Saito, Yuichi Yanai, Tsuyoshi Yamamoto, Takeshi Watanabe, Kazuro Shiomi, Satoshi. mura, Shuichi Hirono
    • Journal Title

      Bioorg. Med. Chem. Lett

      Volume: 19(10) Issue: 10 Pages: 2630-2633

    • DOI

      10.1016/j.bmcl.2009.04.013

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] In silico創薬技術に基づくSBDDの実際2009

    • Author(s)
      広野修一、合田浩明
    • Journal Title

      蛋白質核酸酵素 54

      Pages: 1590-1597

    • Related Report
      2009 Annual Research Report
  • [Journal Article] Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin.2009

    • Author(s)
      Hiroaki Gouda, et al.
    • Journal Title

      Bioorg Med Chem. 17

      Pages: 6270-6278

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens.2009

    • Author(s)
      Hiroaki Gouda, et al.
    • Journal Title

      Bioorg Med Chem Lett. 19

      Pages: 2630-2633

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Presentation] 抗MRSA活性物質Bottromycin類の固相合成研究2012

    • Author(s)
      小林豊
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道大学(北海道)
    • Year and Date
      2012-03-31
    • Related Report
      2011 Annual Research Report
  • [Presentation] 抗MRSA活性物質Bottromycin類の固相合成研究2012

    • Author(s)
      小林豊, 山田健, 井手口哲也, 千成恒, 廣瀬友靖, 小林義典, 合田浩明, 広野修一, 大村智, 砂塚敏明
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道
    • Year and Date
      2012-03-30
    • Related Report
      2011 Final Research Report
  • [Presentation] 新規喘息治療薬開発に有用なin silico分子設計法の確立2012

    • Author(s)
      若杉昌輝, 合田浩明, 廣瀬友靖, 菅原章公, 山本剛, 塩見和朗, 砂塚敏明, 大村智, 広野修一
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道
    • Year and Date
      2012-03-30
    • Related Report
      2011 Final Research Report
  • [Presentation] ヒトCYP3A4阻害剤の3次元定量的構造活性相関-Structure-based CoMFA-2012

    • Author(s)
      半田耕一, 中込泉, 山乙教之, 合田浩明, 広野修一
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道
    • Year and Date
      2012-03-30
    • Related Report
      2011 Final Research Report
  • [Presentation] 抗MRSAおよび抗VRE活性を有する天然化合物bottromycin A_2の溶液構造決定2012

    • Author(s)
      合田浩明, 小林豊, 山田健, 井手口哲也, 菅原章公, 廣瀬友靖, 大村智, 砂塚敏明, 広野修一
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道
    • Year and Date
      2012-03-30
    • Related Report
      2011 Final Research Report
  • [Presentation] PPARγLBDと三環系PPARγパーシャルアゴニストの相互作用解析2012

    • Author(s)
      中込泉, 豊岡尚樹, 峰平大輔, 竹田大輔, 加藤敦, 足立伊左雄, 松谷裕二, 川田耕司, 佐藤謙一, 山乙教之, 合田浩明, 広野修一
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道
    • Year and Date
      2012-03-30
    • Related Report
      2011 Final Research Report
  • [Presentation] 新規セリンラセマーゼ阻害剤の合成研究2012

    • Author(s)
      和田亮吾, 李杰, 合田浩明, 広野修一, 水口峰之, 森寿, 豊岡尚樹
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道
    • Year and Date
      2012-03-30
    • Related Report
      2011 Final Research Report
  • [Presentation] 新規喘息治療薬開発に有用なin silico分子設計法の確立2012

    • Author(s)
      若杉昌輝
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道大学(北海道)
    • Year and Date
      2012-03-30
    • Related Report
      2011 Annual Research Report
  • [Presentation] 抗MRSAおよび抗VRE活性を有する天然化合物bottromycin A_2の溶液構造決定2012

    • Author(s)
      合田浩明
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道大学(北海道)
    • Year and Date
      2012-03-30
    • Related Report
      2011 Annual Research Report
  • [Presentation] PPARγLBDと三環系PPARγパーシャルアゴニストの相互作用解析2012

    • Author(s)
      中込泉
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道大学(北海道)
    • Year and Date
      2012-03-30
    • Related Report
      2011 Annual Research Report
  • [Presentation] ヒトCYP3A4阻害剤の3次元定量的構造活性相関-Structure-based CoMFA-2012

    • Author(s)
      半田耕一
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道大学(北海道)
    • Year and Date
      2012-03-30
    • Related Report
      2011 Annual Research Report
  • [Presentation] 新規セリンラセマーゼ阻害剤の合成研究2012

    • Author(s)
      和田亮吾
    • Organizer
      日本薬学会第132年会
    • Place of Presentation
      北海道大学(北海道)
    • Year and Date
      2012-03-30
    • Related Report
      2011 Annual Research Report
  • [Presentation] Rational drug design strategy for future development of asthma medication2011

    • Author(s)
      Masaki Wakasugi, Hiroaki Gouda, Tomoyasu Hirose, Yoshihumi Saitoh, Tuyoshi Yamamoto, Kazuro Shiomi, Toshiaki Sunazuka, Satosi Omura, Shuichi Hirono
    • Organizer
      The 8th AFMC International Medicinal Chemistry Symposium Frontier of Medicinal Science
    • Place of Presentation
      東京
    • Year and Date
      2011-11-30
    • Related Report
      2011 Final Research Report
  • [Presentation] Establishment and validation of in silico drug design Procedure for future development of asthma medications2011

    • Author(s)
      Masaki Wakasugi
    • Organizer
      The 8th AFMC International Medicinal Chemistry Symposium "Frontier of Medicinal Science"
    • Place of Presentation
      京王プラザホテル(東京)
    • Year and Date
      2011-11-30
    • Related Report
      2011 Annual Research Report
  • [Presentation] ンパク質と相互作用する分子フラグメントを同定するプログラムの開発2011

    • Author(s)
      山乙教之, 中込泉, 合田浩明, 広野修一
    • Organizer
      日本コンピュータ化学会2011秋季年会
    • Place of Presentation
      福井
    • Year and Date
      2011-11-05
    • Related Report
      2011 Final Research Report
  • [Presentation] タンパク質と相互作用する分子フラグメントを同定するプログラムの開発2011

    • Author(s)
      山乙教之
    • Organizer
      日本コンピュータ化学会2011秋季年会
    • Place of Presentation
      福井商工会議所(福井県)
    • Year and Date
      2011-11-05
    • Related Report
      2011 Annual Research Report
  • [Presentation] マクロライド骨格をテンプレートとした新規キチナーゼ阻害剤のデザインと合成2011

    • Author(s)
      木村紗穂莉, 斎藤佳史, 菅原章公, 廣瀬友靖, 合田浩明, 広野修一, 大村智, 砂塚敏明
    • Organizer
      第55回日本薬学会関東支部大会
    • Place of Presentation
      千葉
    • Year and Date
      2011-10-08
    • Related Report
      2011 Final Research Report
  • [Presentation] マクロライド骨格をテンプレートとした新規キチナーゼ阻害剤のデザインと合成2011

    • Author(s)
      木村紗穂莉
    • Organizer
      第55回日本薬学会関東支部大会
    • Place of Presentation
      東邦大学(千葉)
    • Year and Date
      2011-10-08
    • Related Report
      2011 Annual Research Report
  • [Presentation] 相互作用に重要な水分子を取り込んだキチナーゼ阻害剤のin silico分子設計2011

    • Author(s)
      合田浩明, 広野修一
    • Organizer
      日本薬学会第131年会
    • Place of Presentation
      静岡
    • Year and Date
      2011-03-29
    • Related Report
      2011 Final Research Report
  • [Presentation] アディポネクチン発現低下を抑制するプロポリス成分化合物とPPARγLBDの相互作用解析2011

    • Author(s)
      中込泉, 山乙教之, 合田浩明, 広野修一, 津田孝範, 熊澤茂則
    • Organizer
      日本薬学会第131年会
    • Place of Presentation
      静岡
    • Year and Date
      2011-03-29
    • Related Report
      2011 Final Research Report
  • [Presentation] タンパク質と相互作用する分子フラグメント探索法の開発2011

    • Author(s)
      山乙教之、広野修一
    • Organizer
      日本薬学会第131年会
    • Place of Presentation
      静岡
    • Year and Date
      2011-03-29
    • Related Report
      2010 Annual Research Report
  • [Presentation] 分子重ね合わせ法を用いたLigand-Based Drug Design手法によるcongenericな化合物群の3D-QSARモデルの構築及びその検証2010

    • Author(s)
      土井一生, 山乙教之, 合田浩明, 広野修一
    • Organizer
      第38回構造活性相関シンポジウム
    • Place of Presentation
      徳島
    • Year and Date
      2010-10-31
    • Related Report
      2011 Final Research Report
  • [Presentation] In silico創薬技術に基づくD-aspartate oxidase-thiolactomycin複合体の構造解析2010

    • Author(s)
      中込泉, 山乙教之, 合田浩明, 片根真澄, 本間浩, 広野修一
    • Organizer
      第38回構造活性相関シンポジウム
    • Place of Presentation
      徳島
    • Year and Date
      2010-10-30
    • Related Report
      2011 Final Research Report
  • [Presentation] TRNOE測定、コンピュータリガンドドッキングおよび結合自由エネルギー計算を組み合わせたキチナーゼBとArgifin由来ジペプチド阻害剤の相互作用解析2010

    • Author(s)
      合田浩明, 砂塚敏明, 廣瀬友靖, 井口加奈美, 菅原章公, 野口吉彦, 斉藤佳史, 山本剛, 塩見和朗, 大村智, 広野修一
    • Organizer
      第38回構造活性相関シンポジウム
    • Place of Presentation
      徳島
    • Year and Date
      2010-10-30
    • Related Report
      2011 Final Research Report
  • [Presentation] The ligand-based drug design method effective for identifying the active conformations and 3-dimensional pharmacophores of congeneric compounds2010

    • Author(s)
      Issei Doi, Noriyuki Yamaotsu, Hiroaki Gouch, Shuichi Hirono
    • Organizer
      18^<th> Euro QSAR
    • Place of Presentation
      Rhodes, Greece
    • Year and Date
      2010-09-21
    • Related Report
      2010 Annual Research Report
  • [Presentation] ヒト酸性キチナーゼを標的にしたキチナーゼ阻害剤Argifinの理論的分子構造最適化2010

    • Author(s)
      合田浩明, 寺嶋真一, 広野修一
    • Organizer
      日本薬学会第130年会
    • Place of Presentation
      岡山
    • Year and Date
      2010-03-29
    • Related Report
      2011 Final Research Report
  • [Presentation] ヒト酸性キチナーゼに対して特異性を有するArgifin誘導体の論理的分子設計2009

    • Author(s)
      合田浩明, 寺嶋真一, 広野修一
    • Organizer
      第37回構造活性相関シンポジウム
    • Place of Presentation
      東京
    • Year and Date
      2009-11-12
    • Related Report
      2011 Final Research Report
  • [Presentation] 3D-QSAR MODELS FOR THE PPARS AGONISTS WITH DUE REGARD TO MEMBRANE TRANSPORT2009

    • Author(s)
      S.Hirono, I.Nakagome, N.Yamaotsu, H.Gouda
    • Organizer
      Frontiers in Medicinal Chemistry
    • Place of Presentation
      Barcelona, Spain
    • Year and Date
      2009-10-05
    • Related Report
      2009 Annual Research Report
  • [Presentation] In Silico創薬技術に基づくStructure-Based Drug Designの実際2009

    • Author(s)
      広野修一
    • Organizer
      日本ヒトプロテオーム機構第7回大会
    • Place of Presentation
      東京
    • Year and Date
      2009-07-28
    • Related Report
      2009 Annual Research Report

URL: 

Published: 2009-04-01   Modified: 2016-04-21  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi